N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide

C27H21F2N7O3S — CID 176834332

IUPACN-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide
SMILESCOc1cn2cncc2cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(C(F)F)cn1)C2
InChIInChI=1S/C27H21F2N7O3S/c1-14-5-17(18-6-16-8-30-13-36(16)11-22(18)39-2)19(9-31-14)25(37)34-27-33-21-10-35(12-23(21)40-27)26(38)20-4-3-15(7-32-20)24(28)29/h3-9,11,13,24H,10,12H2,1-2H3,(H,33,34,37)
InChIKeyQWFAZEHOFDYIPI-UHFFFAOYSA-N
MW561.57 g/mol
LogP4.91
Rot. Bonds6

About N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide

N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide (PubChem CID 176834332) has the molecular formula C27H21F2N7O3S and a molecular weight of 561.57 g/mol. Its IUPAC name is N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide
PubChem CID176834332
Molecular FormulaC27H21F2N7O3S
Molecular Weight561.57 g/mol
Exact Mass561.14
IUPAC NameN-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide
SMILESCOc1cn2cncc2cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(C(F)F)cn1)C2
InChIInChI=1S/C27H21F2N7O3S/c1-14-5-17(18-6-16-8-30-13-36(16)11-22(18)39-2)19(9-31-14)25(37)34-27-33-21-10-35(12-23(21)40-27)26(38)20-4-3-15(7-32-20)24(28)29/h3-9,11,13,24H,10,12H2,1-2H3,(H,33,34,37)
InChIKeyQWFAZEHOFDYIPI-UHFFFAOYSA-N
XLogP4.91
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.57
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide (CID 176834332) is N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide is COc1cn2cncc2cc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)c1ccc(C(F)F)cn1)C2.
What is the InChIKey of N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is QWFAZEHOFDYIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N7O3S/c1-14-5-17(18-6-16-8-30-13-36(16)11-22(18)39-2)19(9-31-14)25(37)34-27-33-21-10-35(12-23(21)40-27)26(38)20-4-3-15(7-32-20)24(28)29/h3-9,11,13,24H,10,12H2,1-2H3,(H,33,34,37).
What are the key properties of N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide?
N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 561.57 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(difluoromethyl)pyridine-2-carbonyl]-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(6-methoxyimidazo[1,5-a]pyridin-7-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176834332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).