N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone

C149H146F10N26O25S — CID 159050291

IUPACN-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
SMILESC=S1CCN(C(=O)c2nn(-c3cc(F)cc(F)c3)c3c2COc2cc(OC)c(-c4cnn(CC(N)=O)c4)cc2-3)C(C)(C)C1.COc1cc(F)cc(-n2nc(C(=O)N3CCOCC3(C)C)c3c2-c2cc(-c4cnn(CC(N)=O)c4)c(OC)cc2OC3)c1.COc1cc(F)cc(-n2nc(C(=O)N3CCOCC3(C)C)c3c2-c2cc(-c4cnn(CCO)c4)c(OC)cc2OC3)c1.COc1cc2c(cc1-c1cc(C(N)=O)ncc1F)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(F)cc(F)c1)CO2.COc1cc2c(cc1-c1cc(CO)ncc1F)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cc(F)cc(F)c1)CO2
InChIInChI=1S/C30H26F3N5O5.C30H30F2N6O4S.C30H31FN6O6.C30H32FN5O6.C29H27F3N4O4/c1-30(2)14-42-5-4-37(30)29(40)26-21-13-43-25-11-24(41-3)19(18-10-23(28(34)39)35-12-22(18)33)9-20(25)27(21)38(36-26)17-7-15(31)6-16(32)8-17;1-30(2)16-43(4)6-5-37(30)29(40)27-23-15-42-25-11-24(41-3)21(17-12-34-36(13-17)14-26(33)39)10-22(25)28(23)38(35-27)20-8-18(31)7-19(32)9-20;1-30(2)16-42-6-5-36(30)29(39)27-23-15-43-25-11-24(41-4)21(17-12-33-35(13-17)14-26(32)38)10-22(25)28(23)37(34-27)19-7-18(31)8-20(9-19)40-3;1-30(2)17-41-8-6-35(30)29(38)27-24-16-42-26-13-25(40-4)22(18-14-32-34(15-18)5-7-37)12-23(26)28(24)36(33-27)20-9-19(31)10-21(11-20)39-3;1-29(2,3)35(4)28(38)26-22-14-40-25-11-24(39-5)20(19-9-17(13-37)33-12-23(19)32)10-21(25)27(22)36(34-26)18-7-15(30)6-16(31)8-18/h6-12H,4-5,13-14H2,1-3H3,(H2,34,39);7-13H,4-6,14-16H2,1-3H3,(H2,33,39);7-13H,5-6,14-16H2,1-4H3,(H2,32,38);9-15,37H,5-8,16-17H2,1-4H3;6-12,37H,13-14H2,1-5H3
InChIKeyJXEHCPRTMPSPJD-UHFFFAOYSA-N
MW2923.01 g/mol
LogP20.44
Rot. Bonds30

About N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone

N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone (PubChem CID 159050291) has the molecular formula C149H146F10N26O25S and a molecular weight of 2923.01 g/mol. Its IUPAC name is N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound NameN-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
PubChem CID159050291
Molecular FormulaC149H146F10N26O25S
Molecular Weight2923.01 g/mol
Exact Mass2921.05
IUPAC NameN-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone
SMILESC=S1CCN(C(=O)c2nn(-c3cc(F)cc(F)c3)c3c2COc2cc(OC)c(-c4cnn(CC(N)=O)c4)cc2-3)C(C)(C)C1.COc1cc(F)cc(-n2nc(C(=O)N3CCOCC3(C)C)c3c2-c2cc(-c4cnn(CC(N)=O)c4)c(OC)cc2OC3)c1.COc1cc(F)cc(-n2nc(C(=O)N3CCOCC3(C)C)c3c2-c2cc(-c4cnn(CCO)c4)c(OC)cc2OC3)c1.COc1cc2c(cc1-c1cc(C(N)=O)ncc1F)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(F)cc(F)c1)CO2.COc1cc2c(cc1-c1cc(CO)ncc1F)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cc(F)cc(F)c1)CO2
InChIInChI=1S/C30H26F3N5O5.C30H30F2N6O4S.C30H31FN6O6.C30H32FN5O6.C29H27F3N4O4/c1-30(2)14-42-5-4-37(30)29(40)26-21-13-43-25-11-24(41-3)19(18-10-23(28(34)39)35-12-22(18)33)9-20(25)27(21)38(36-26)17-7-15(31)6-16(32)8-17;1-30(2)16-43(4)6-5-37(30)29(40)27-23-15-42-25-11-24(41-3)21(17-12-34-36(13-17)14-26(33)39)10-22(25)28(23)38(35-27)20-8-18(31)7-19(32)9-20;1-30(2)16-42-6-5-36(30)29(39)27-23-15-43-25-11-24(41-4)21(17-12-33-35(13-17)14-26(32)38)10-22(25)28(23)37(34-27)19-7-18(31)8-20(9-19)40-3;1-30(2)17-41-8-6-35(30)29(38)27-24-16-42-26-13-25(40-4)22(18-14-32-34(15-18)5-7-37)12-23(26)28(24)36(33-27)20-9-19(31)10-21(11-20)39-3;1-29(2,3)35(4)28(38)26-22-14-40-25-11-24(39-5)20(19-9-17(13-37)33-12-23(19)32)10-21(25)27(22)36(34-26)18-7-15(30)6-16(31)8-18/h6-12H,4-5,13-14H2,1-3H3,(H2,34,39);7-13H,4-6,14-16H2,1-3H3,(H2,33,39);7-13H,5-6,14-16H2,1-4H3,(H2,32,38);9-15,37H,5-8,16-17H2,1-4H3;6-12,37H,13-14H2,1-5H3
InChIKeyJXEHCPRTMPSPJD-UHFFFAOYSA-N
XLogP20.44
TPSA578.07 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds30
Heavy Atoms211
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002923.01
LogP ≤ 520.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?
The IUPAC name of N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone (CID 159050291) is N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone.
What is the SMILES notation for N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?
The canonical SMILES for N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone is C=S1CCN(C(=O)c2nn(-c3cc(F)cc(F)c3)c3c2COc2cc(OC)c(-c4cnn(CC(N)=O)c4)cc2-3)C(C)(C)C1.COc1cc(F)cc(-n2nc(C(=O)N3CCOCC3(C)C)c3c2-c2cc(-c4cnn(CC(N)=O)c4)c(OC)cc2OC3)c1.COc1cc(F)cc(-n2nc(C(=O)N3CCOCC3(C)C)c3c2-c2cc(-c4cnn(CCO)c4)c(OC)cc2OC3)c1.COc1cc2c(cc1-c1cc(C(N)=O)ncc1F)-c1c(c(C(=O)N3CCOCC3(C)C)nn1-c1cc(F)cc(F)c1)CO2.COc1cc2c(cc1-c1cc(CO)ncc1F)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1cc(F)cc(F)c1)CO2.
What is the InChIKey of N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?
The InChIKey is JXEHCPRTMPSPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F3N5O5.C30H30F2N6O4S.C30H31FN6O6.C30H32FN5O6.C29H27F3N4O4/c1-30(2)14-42-5-4-37(30)29(40)26-21-13-43-25-11-24(41-3)19(18-10-23(28(34)39)35-12-22(18)33)9-20(25)27(21)38(36-26)17-7-15(31)6-16(32)8-17;1-30(2)16-43(4)6-5-37(30)29(40)27-23-15-42-25-11-24(41-3)21(17-12-34-36(13-17)14-26(33)39)10-22(25)28(23)38(35-27)20-8-18(31)7-19(32)9-20;1-30(2)16-42-6-5-36(30)29(39)27-23-15-43-25-11-24(41-4)21(17-12-33-35(13-17)14-26(32)38)10-22(25)28(23)37(34-27)19-7-18(31)8-20(9-19)40-3;1-30(2)17-41-8-6-35(30)29(38)27-24-16-42-26-13-25(40-4)22(18-14-32-34(15-18)5-7-37)12-23(26)28(24)36(33-27)20-9-19(31)10-21(11-20)39-3;1-29(2,3)35(4)28(38)26-22-14-40-25-11-24(39-5)20(19-9-17(13-37)33-12-23(19)32)10-21(25)27(22)36(34-26)18-7-15(30)6-16(31)8-18/h6-12H,4-5,13-14H2,1-3H3,(H2,34,39);7-13H,4-6,14-16H2,1-3H3,(H2,33,39);7-13H,5-6,14-16H2,1-4H3,(H2,32,38);9-15,37H,5-8,16-17H2,1-4H3;6-12,37H,13-14H2,1-5H3.
What are the key properties of N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone?
N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone has a molecular weight of 2923.01 g/mol, XLogP of 20.44, 30 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(3,5-difluorophenyl)-8-[5-fluoro-2-(hydroxymethyl)-4-pyridinyl]-7-methoxy-N-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;2-[4-[1-(3,5-difluorophenyl)-3-(3,3-dimethyl-1-methylidene-1,4-thiazinane-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;4-[1-(3,5-difluorophenyl)-3-(3,3-dimethylmorpholine-4-carbonyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]-5-fluoropyridine-2-carboxamide;2-[4-[3-(3,3-dimethylmorpholine-4-carbonyl)-1-(3-fluoro-5-methoxyphenyl)-7-methoxy-4H-chromeno[3,4-d]pyrazol-8-yl]pyrazol-1-yl]acetamide;(3,3-dimethylmorpholin-4-yl)-[1-(3-fluoro-5-methoxyphenyl)-8-[1-(2-hydroxyethyl)pyrazol-4-yl]-7-methoxy-4H-chromeno[3,4-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 159050291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).