N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide

C37H28F2N6O3S — CID 173493244

IUPACN-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
SMILESCOc1ccc(Cn2nc(C)c3c([C@@H]4C[C@H]4c4ccc(NC(=O)c5cc6ncsc6n(-c6ccc(F)cc6)c5=O)cc4F)ccnc32)cc1
InChIInChI=1S/C37H28F2N6O3S/c1-20-33-27(13-14-40-34(33)44(43-20)18-21-3-10-25(48-2)11-4-21)29-16-28(29)26-12-7-23(15-31(26)39)42-35(46)30-17-32-37(49-19-41-32)45(36(30)47)24-8-5-22(38)6-9-24/h3-15,17,19,28-29H,16,18H2,1-2H3,(H,42,46)/t28-,29-/m0/s1
InChIKeyOSKNHPNPQQZRMM-VMPREFPWSA-N
MW674.73 g/mol
LogP7.36
Rot. Bonds8

About N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide

N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 173493244) has the molecular formula C37H28F2N6O3S and a molecular weight of 674.73 g/mol. Its IUPAC name is N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
PubChem CID173493244
Molecular FormulaC37H28F2N6O3S
Molecular Weight674.73 g/mol
Exact Mass674.19
IUPAC NameN-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
SMILESCOc1ccc(Cn2nc(C)c3c([C@@H]4C[C@H]4c4ccc(NC(=O)c5cc6ncsc6n(-c6ccc(F)cc6)c5=O)cc4F)ccnc32)cc1
InChIInChI=1S/C37H28F2N6O3S/c1-20-33-27(13-14-40-34(33)44(43-20)18-21-3-10-25(48-2)11-4-21)29-16-28(29)26-12-7-23(15-31(26)39)42-35(46)30-17-32-37(49-19-41-32)45(36(30)47)24-8-5-22(38)6-9-24/h3-15,17,19,28-29H,16,18H2,1-2H3,(H,42,46)/t28-,29-/m0/s1
InChIKeyOSKNHPNPQQZRMM-VMPREFPWSA-N
XLogP7.36
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.73
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide with MolForge

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Related Compounds

N-[4-[[2-[[ethyl(methyl)carbamoyl]amino]-4-pyridinyl]oxy]-3-fluorophenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 123595848
N-[4-[2-fluoro-4-[[4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 71488984
N-[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxy-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 68513141
N-[3-fluoro-4-[1-[(4-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)pyrazolo[3,4-b]pyridin-4-yl]oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 68515088
N-[3-fluoro-4-[3-[4-(2-methoxyethyl)piperazin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 68513921
tert-butyl (3S,4S)-3-fluoro-4-[[4-[2-fluoro-4-[[2-(4-fluorophenyl)-3-oxopyridazine-4-carbonyl]amino]phenoxy]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]amino]piperidine-1-carboxylate
CID 68515169
tert-butyl 4-[4-[2-fluoro-4-[[2-(4-fluorophenyl)-3-oxopyridazine-4-carbonyl]amino]phenoxy]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]oxypiperidine-1-carboxylate
CID 67221226
(dimethylamino)methyl 4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate
CID 141307421
N-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137394
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
CID 43813136
2-(dimethylamino)-4-(4-fluorophenyl)-N-(3-fluoro-4-pyridin-4-yloxyphenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide
CID 123855499
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide (CID 173493244) is N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide is COc1ccc(Cn2nc(C)c3c([C@@H]4C[C@H]4c4ccc(NC(=O)c5cc6ncsc6n(-c6ccc(F)cc6)c5=O)cc4F)ccnc32)cc1.
What is the InChIKey of N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is OSKNHPNPQQZRMM-VMPREFPWSA-N. The full InChI is InChI=1S/C37H28F2N6O3S/c1-20-33-27(13-14-40-34(33)44(43-20)18-21-3-10-25(48-2)11-4-21)29-16-28(29)26-12-7-23(15-31(26)39)42-35(46)30-17-32-37(49-19-41-32)45(36(30)47)24-8-5-22(38)6-9-24/h3-15,17,19,28-29H,16,18H2,1-2H3,(H,42,46)/t28-,29-/m0/s1.
What are the key properties of N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide?
N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 674.73 g/mol, XLogP of 7.36, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[(1R,2R)-2-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[3,4-b]pyridin-4-yl]cyclopropyl]phenyl]-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 173493244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).