4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide

C165H187F3N32O26 — CID 157290414

IUPAC4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cnc(OC2CC3(COC3)C2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)F)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)O)ccn2)cc1-c1cnc(OC2CC3(COC3)C2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)O)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(F)F)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C31H34N6O4.C30H35N5O5.C27H30N6O4.C26H30FN5O4.C26H31N5O5.C25H27F2N5O4/c1-20-25(12-23(16-34-20)36-28(38)26-11-22(4-5-33-26)30(2,3)17-32)21-10-27(37-6-8-39-9-7-37)29(35-15-21)41-24-13-31(14-24)18-40-19-31;1-19-24(12-22(16-32-19)34-27(36)25-11-21(4-5-31-25)29(2,3)37)20-10-26(35-6-8-38-9-7-35)28(33-15-20)40-23-13-30(14-23)17-39-18-30;1-18-22(19-12-24(33-6-9-36-10-7-33)26(31-15-19)37-11-8-34)14-21(16-30-18)32-25(35)23-13-20(4-5-29-23)27(2,3)17-28;1-17-21(18-12-23(32-6-9-35-10-7-32)25(30-15-18)36-11-8-33)14-20(16-29-17)31-24(34)22-13-19(4-5-28-22)26(2,3)27;1-17-21(18-12-23(31-6-9-35-10-7-31)25(29-15-18)36-11-8-32)14-20(16-28-17)30-24(33)22-13-19(4-5-27-22)26(2,3)34;1-16-20(17-11-22(32-5-8-35-9-6-32)24(30-14-17)36-10-7-33)13-19(15-29-16)31-23(34)21-12-18(3-4-28-21)25(2,26)27/h4-5,10-12,15-16,24H,6-9,13-14,18-19H2,1-3H3,(H,36,38);4-5,10-12,15-16,23,37H,6-9,13-14,17-18H2,1-3H3,(H,34,36);4-5,12-16,34H,6-11H2,1-3H3,(H,32,35);4-5,12-16,33H,6-11H2,1-3H3,(H,31,34);4-5,12-16,32,34H,6-11H2,1-3H3,(H,30,33);3-4,11-15,33H,5-10H2,1-2H3,(H,31,34)
InChIKeyBASSYGZVAMQKAG-UHFFFAOYSA-N
MW3091.50 g/mol
LogP20.59
Rot. Bonds46

About 4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide

4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 157290414) has the molecular formula C165H187F3N32O26 and a molecular weight of 3091.50 g/mol. Its IUPAC name is 4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide
PubChem CID157290414
Molecular FormulaC165H187F3N32O26
Molecular Weight3091.50 g/mol
Exact Mass3089.42
IUPAC Name4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide
SMILESCc1ncc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cnc(OC2CC3(COC3)C2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)F)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)O)ccn2)cc1-c1cnc(OC2CC3(COC3)C2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)O)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(F)F)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1
InChIInChI=1S/C31H34N6O4.C30H35N5O5.C27H30N6O4.C26H30FN5O4.C26H31N5O5.C25H27F2N5O4/c1-20-25(12-23(16-34-20)36-28(38)26-11-22(4-5-33-26)30(2,3)17-32)21-10-27(37-6-8-39-9-7-37)29(35-15-21)41-24-13-31(14-24)18-40-19-31;1-19-24(12-22(16-32-19)34-27(36)25-11-21(4-5-31-25)29(2,3)37)20-10-26(35-6-8-38-9-7-35)28(33-15-20)40-23-13-30(14-23)17-39-18-30;1-18-22(19-12-24(33-6-9-36-10-7-33)26(31-15-19)37-11-8-34)14-21(16-30-18)32-25(35)23-13-20(4-5-29-23)27(2,3)17-28;1-17-21(18-12-23(32-6-9-35-10-7-32)25(30-15-18)36-11-8-33)14-20(16-29-17)31-24(34)22-13-19(4-5-28-22)26(2,3)27;1-17-21(18-12-23(31-6-9-35-10-7-31)25(29-15-18)36-11-8-32)14-20(16-28-17)30-24(33)22-13-19(4-5-27-22)26(2,3)34;1-16-20(17-11-22(32-5-8-35-9-6-32)24(30-14-17)36-10-7-33)13-19(15-29-16)31-23(34)21-12-18(3-4-28-21)25(2,26)27/h4-5,10-12,15-16,24H,6-9,13-14,18-19H2,1-3H3,(H,36,38);4-5,10-12,15-16,23,37H,6-9,13-14,17-18H2,1-3H3,(H,34,36);4-5,12-16,34H,6-11H2,1-3H3,(H,32,35);4-5,12-16,33H,6-11H2,1-3H3,(H,31,34);4-5,12-16,32,34H,6-11H2,1-3H3,(H,30,33);3-4,11-15,33H,5-10H2,1-2H3,(H,31,34)
InChIKeyBASSYGZVAMQKAG-UHFFFAOYSA-N
XLogP20.59
TPSA724.24 Ų
H-Bond Donors12
H-Bond Acceptors52
Rotatable Bonds46
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003091.50
LogP ≤ 520.59
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1052

Analyze 4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(difluoromethyl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)pyridin-3-yl]pyridin-3-yl]pyridine-4-carboxamide
CID 117609660
N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)pyridin-3-yl]pyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 117609780
N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 117609867
4-(2-fluoropropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide
CID 117609939
4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]pyridine-2-carboxamide
CID 117610107
4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide
CID 117609804
2-(2-fluoropropan-2-yl)-N-[5-[6-[(2S)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 117609922
2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide
CID 117609938
2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(oxan-4-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide
CID 117609658
4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide
CID 117609663
2-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 117609712
4-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide
CID 117609743

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide (CID 157290414) is 4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide is Cc1ncc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cnc(OC2CC3(COC3)C2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)C#N)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)F)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)O)ccn2)cc1-c1cnc(OC2CC3(COC3)C2)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(C)O)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.Cc1ncc(NC(=O)c2cc(C(C)(F)F)ccn2)cc1-c1cnc(OCCO)c(N2CCOCC2)c1.
What is the InChIKey of 4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is BASSYGZVAMQKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O4.C30H35N5O5.C27H30N6O4.C26H30FN5O4.C26H31N5O5.C25H27F2N5O4/c1-20-25(12-23(16-34-20)36-28(38)26-11-22(4-5-33-26)30(2,3)17-32)21-10-27(37-6-8-39-9-7-37)29(35-15-21)41-24-13-31(14-24)18-40-19-31;1-19-24(12-22(16-32-19)34-27(36)25-11-21(4-5-31-25)29(2,3)37)20-10-26(35-6-8-38-9-7-35)28(33-15-20)40-23-13-30(14-23)17-39-18-30;1-18-22(19-12-24(33-6-9-36-10-7-33)26(31-15-19)37-11-8-34)14-21(16-30-18)32-25(35)23-13-20(4-5-29-23)27(2,3)17-28;1-17-21(18-12-23(32-6-9-35-10-7-32)25(30-15-18)36-11-8-33)14-20(16-29-17)31-24(34)22-13-19(4-5-28-22)26(2,3)27;1-17-21(18-12-23(31-6-9-35-10-7-31)25(29-15-18)36-11-8-32)14-20(16-28-17)30-24(33)22-13-19(4-5-27-22)26(2,3)34;1-16-20(17-11-22(32-5-8-35-9-6-32)24(30-14-17)36-10-7-33)13-19(15-29-16)31-23(34)21-12-18(3-4-28-21)25(2,26)27/h4-5,10-12,15-16,24H,6-9,13-14,18-19H2,1-3H3,(H,36,38);4-5,10-12,15-16,23,37H,6-9,13-14,17-18H2,1-3H3,(H,34,36);4-5,12-16,34H,6-11H2,1-3H3,(H,32,35);4-5,12-16,33H,6-11H2,1-3H3,(H,31,34);4-5,12-16,32,34H,6-11H2,1-3H3,(H,30,33);3-4,11-15,33H,5-10H2,1-2H3,(H,31,34).
What are the key properties of 4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide?
4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 3091.50 g/mol, XLogP of 20.59, 46 rotatable bonds, 12 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanopropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide;4-(1,1-difluoroethyl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;4-(2-fluoropropan-2-yl)-N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-2-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 157290414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).