2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide

C186H196F5N25O40 — CID 165045963

IUPAC2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(cn2)OC(C)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)OC(C)(C)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnc3c(c2)C(C)(F)CC3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1cnc(NC(=O)c2ccc3c(c2)OC(F)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccc3c(c2)OC(C)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C28H31FN4O4.C28H31N3O6.C27H29N3O6.2C26H27FN4O6.C26H27N3O6.C25H24F2N4O6/c1-18-3-4-21(31-27(35)20-13-23-24(30-17-20)5-6-28(23,2)29)16-22(18)19-14-25(33-7-10-36-11-8-33)32-26(15-19)37-12-9-34;1-18-4-6-21(29-27(33)19-5-7-23-24(14-19)37-28(2,3)36-23)17-22(18)20-15-25(31-8-11-34-12-9-31)30-26(16-20)35-13-10-32;1-18-2-4-21(28-27(32)19-3-5-23-24(14-19)35-13-12-34-23)17-22(18)20-15-25(30-6-9-33-10-7-30)29-26(16-20)36-11-8-31;1-16-20(18-12-23(31-5-8-34-9-6-31)30-24(13-18)35-10-7-32)14-19(15-28-16)29-25(33)17-3-4-21-22(11-17)37-26(2,27)36-21;1-16-3-4-18(29-25(33)20-14-21-22(15-28-20)37-26(2,27)36-21)13-19(16)17-11-23(31-5-8-34-9-6-31)30-24(12-17)35-10-7-32;1-17-2-4-20(27-26(31)18-3-5-22-23(12-18)35-16-34-22)15-21(17)19-13-24(29-6-9-32-10-7-29)28-25(14-19)33-11-8-30;1-15-14-28-21(29-24(33)16-2-3-19-20(10-16)37-25(26,27)36-19)13-18(15)17-11-22(31-4-7-34-8-5-31)30-23(12-17)35-9-6-32/h3-4,13-17,34H,5-12H2,1-2H3,(H,31,35);4-7,14-17,32H,8-13H2,1-3H3,(H,29,33);2-5,14-17,31H,6-13H2,1H3,(H,28,32);2*3-4,11-15,32H,5-10H2,1-2H3,(H,29,33);2-5,12-15,30H,6-11,16H2,1H3,(H,27,31);2-3,10-14,32H,4-9H2,1H3,(H,28,29,33)
InChIKeyOXAGNGGJWJUXSG-UHFFFAOYSA-N
MW3516.74 g/mol
LogP24.49
Rot. Bonds49

About 2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide

2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide (PubChem CID 165045963) has the molecular formula C186H196F5N25O40 and a molecular weight of 3516.74 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
PubChem CID165045963
Molecular FormulaC186H196F5N25O40
Molecular Weight3516.74 g/mol
Exact Mass3514.40
IUPAC Name2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(cn2)OC(C)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)OC(C)(C)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnc3c(c2)C(C)(F)CC3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1cnc(NC(=O)c2ccc3c(c2)OC(F)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccc3c(c2)OC(C)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C28H31FN4O4.C28H31N3O6.C27H29N3O6.2C26H27FN4O6.C26H27N3O6.C25H24F2N4O6/c1-18-3-4-21(31-27(35)20-13-23-24(30-17-20)5-6-28(23,2)29)16-22(18)19-14-25(33-7-10-36-11-8-33)32-26(15-19)37-12-9-34;1-18-4-6-21(29-27(33)19-5-7-23-24(14-19)37-28(2,3)36-23)17-22(18)20-15-25(31-8-11-34-12-9-31)30-26(16-20)35-13-10-32;1-18-2-4-21(28-27(32)19-3-5-23-24(14-19)35-13-12-34-23)17-22(18)20-15-25(30-6-9-33-10-7-30)29-26(16-20)36-11-8-31;1-16-20(18-12-23(31-5-8-34-9-6-31)30-24(13-18)35-10-7-32)14-19(15-28-16)29-25(33)17-3-4-21-22(11-17)37-26(2,27)36-21;1-16-3-4-18(29-25(33)20-14-21-22(15-28-20)37-26(2,27)36-21)13-19(16)17-11-23(31-5-8-34-9-6-31)30-24(12-17)35-10-7-32;1-17-2-4-20(27-26(31)18-3-5-22-23(12-18)35-16-34-22)15-21(17)19-13-24(29-6-9-32-10-7-29)28-25(14-19)33-11-8-30;1-15-14-28-21(29-24(33)16-2-3-19-20(10-16)37-25(26,27)36-19)13-18(15)17-11-22(31-4-7-34-8-5-31)30-23(12-17)35-9-6-32/h3-4,13-17,34H,5-12H2,1-2H3,(H,31,35);4-7,14-17,32H,8-13H2,1-3H3,(H,29,33);2-5,14-17,31H,6-13H2,1H3,(H,28,32);2*3-4,11-15,32H,5-10H2,1-2H3,(H,29,33);2-5,12-15,30H,6-11,16H2,1H3,(H,27,31);2-3,10-14,32H,4-9H2,1H3,(H,28,29,33)
InChIKeyOXAGNGGJWJUXSG-UHFFFAOYSA-N
XLogP24.49
TPSA749.76 Ų
H-Bond Donors14
H-Bond Acceptors58
Rotatable Bonds49
Heavy Atoms256
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003516.74
LogP ≤ 524.49
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1058

Analyze 2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-fluoro-2-methylbenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide
CID 160313913
N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluorobenzamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methylbenzamide;2,6-difluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-fluoro-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide;2-methyl-N-[5-(6-methylspiro[1,3-benzodioxole-2,3'-oxetane]-5-yl)-2-pyridinyl]benzamide
CID 160617817
2,2-difluoro-[1,3]dioxolo[4,5-c]pyridine-6-carboxylic acid;(2,2-difluoro-[1,3]dioxolo[4,5-c]pyridin-6-yl)methanol;2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
CID 164963284
bis(2,2-difluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide);2,2-difluoro-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)aniline
CID 164977664
2,2-difluoro-N-[5-methyl-4-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;2,2-dimethyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-5-methyl-N-[4-methyl-3-[2-morpholin-4-yl-6-[2-(oxan-2-yloxy)ethoxy]-4-pyridinyl]phenyl]-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-2-methyl-N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-2-methyl-N-[6-methyl-5-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide;N-[4-methyl-3-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 165051185
5-bromo-6-methylpyridin-3-amine;2,2-difluoro-N-[5-(2-fluoro-6-morpholin-4-yl-4-pyridinyl)-6-methyl-3-pyridinyl]-1,3-benzodioxole-5-carboxamide;bis(2,2-difluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-1,3-benzodioxole-5-carboxamide);2,2-difluoro-N-[6-methyl-5-(2-morpholin-4-yl-6-propoxy-4-pyridinyl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-(2,6-difluoro-4-pyridinyl)-6-methylpyridin-3-amine;N-[5-(2,6-difluoro-4-pyridinyl)-6-methyl-3-pyridinyl]-2,2-difluoro-1,3-benzodioxole-5-carboxamide
CID 165090672
(3R)-1-[(5R)-8-(difluoromethoxy)-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-8-fluoro-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid;(3R)-1-[(5R)-2-[3-[3-[[3-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,7-naphthyridin-8-yl]amino]-2-methylphenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]pyrrolidine-3-carboxylic acid
CID 167638633
CID 157066041
CID 157066041
2-(1,3-Benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(5-fluoro-1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-morpholin-4-yl-2-propan-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 158758765
CID 159567726
CID 159567726
2-(1,3-Benzodioxol-5-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[cyclopropyl(methyl)amino]-2-(4-fluorophenyl)furo[2,3-b]pyrazine-6-carboxylic acid;2-(4-fluorophenyl)-3-[methyl(pyridin-3-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-naphthalen-2-ylfuro[2,3-b]pyrazine-6-carboxylic acid;3-[methyl(propan-2-yl)amino]-2-pyridin-3-ylfuro[2,3-b]pyrazine-6-carboxylic acid
CID 160419264
2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-1,3-benzodioxole-5-carboxamide;3-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-2H-1-benzofuran-5-carboxamide;7-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-7-methyl-5,6-dihydrocyclopenta[b]pyridine-3-carboxamide;1-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1-methyl-2,3-dihydroindene-5-carboxamide;3-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methyl-1,2-dihydroindene-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]bicyclo[4.2.0]octa-1(6),2,4-triene-3-carboxamide
CID 165050275

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of 2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide (CID 165045963) is 2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide is Cc1ccc(NC(=O)c2cc3c(cn2)OC(C)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)OC(C)(C)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnc3c(c2)C(C)(F)CC3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1cnc(NC(=O)c2ccc3c(c2)OC(F)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccc3c(c2)OC(C)(F)O3)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.
What is the InChIKey of 2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is OXAGNGGJWJUXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O4.C28H31N3O6.C27H29N3O6.2C26H27FN4O6.C26H27N3O6.C25H24F2N4O6/c1-18-3-4-21(31-27(35)20-13-23-24(30-17-20)5-6-28(23,2)29)16-22(18)19-14-25(33-7-10-36-11-8-33)32-26(15-19)37-12-9-34;1-18-4-6-21(29-27(33)19-5-7-23-24(14-19)37-28(2,3)36-23)17-22(18)20-15-25(31-8-11-34-12-9-31)30-26(16-20)35-13-10-32;1-18-2-4-21(28-27(32)19-3-5-23-24(14-19)35-13-12-34-23)17-22(18)20-15-25(30-6-9-33-10-7-30)29-26(16-20)36-11-8-31;1-16-20(18-12-23(31-5-8-34-9-6-31)30-24(13-18)35-10-7-32)14-19(15-28-16)29-25(33)17-3-4-21-22(11-17)37-26(2,27)36-21;1-16-3-4-18(29-25(33)20-14-21-22(15-28-20)37-26(2,27)36-21)13-19(16)17-11-23(31-5-8-34-9-6-31)30-24(12-17)35-10-7-32;1-17-2-4-20(27-26(31)18-3-5-22-23(12-18)35-16-34-22)15-21(17)19-13-24(29-6-9-32-10-7-29)28-25(14-19)33-11-8-30;1-15-14-28-21(29-24(33)16-2-3-19-20(10-16)37-25(26,27)36-19)13-18(15)17-11-22(31-4-7-34-8-5-31)30-23(12-17)35-9-6-32/h3-4,13-17,34H,5-12H2,1-2H3,(H,31,35);4-7,14-17,32H,8-13H2,1-3H3,(H,29,33);2-5,14-17,31H,6-13H2,1H3,(H,28,32);2*3-4,11-15,32H,5-10H2,1-2H3,(H,29,33);2-5,12-15,30H,6-11,16H2,1H3,(H,27,31);2-3,10-14,32H,4-9H2,1H3,(H,28,29,33).
What are the key properties of 2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide?
2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 3516.74 g/mol, XLogP of 24.49, 49 rotatable bonds, 14 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[4-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-5-methyl-2-pyridinyl]-1,3-benzodioxole-5-carboxamide;5-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-5-methyl-6,7-dihydrocyclopenta[b]pyridine-3-carboxamide;2-fluoro-N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-methyl-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide;2-fluoro-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methyl-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-1,3-benzodioxole-5-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide;N-[3-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 165045963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).