5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide

C53H34F6N8O3 — CID 155180876

IUPAC5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(OC(F)F)c(-c2ccc(-c3ncc4c(-c5cnc(C)c(C(=O)Nc6ccccc6)c5)cccn34)c(F)c2F)c1
InChIInChI=1S/C53H34F6N8O3/c1-28-39(51(68)64-32-9-4-3-5-10-32)21-30(24-60-28)35-13-8-20-67-44(35)27-63-50(67)38-17-16-36(47(56)48(38)57)41-23-33(15-18-45(41)70-53(58)59)65-52(69)40-22-31(25-61-29(40)2)34-12-7-19-66-43(34)26-62-49(66)37-11-6-14-42(54)46(37)55/h3-27,53H,1-2H3,(H,64,68)(H,65,69)
InChIKeyWVKNCHCMTDEKTM-UHFFFAOYSA-N
MW944.90 g/mol
LogP12.39
Rot. Bonds11

About 5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide

5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 155180876) has the molecular formula C53H34F6N8O3 and a molecular weight of 944.90 g/mol. Its IUPAC name is 5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide
PubChem CID155180876
Molecular FormulaC53H34F6N8O3
Molecular Weight944.90 g/mol
Exact Mass944.27
IUPAC Name5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(OC(F)F)c(-c2ccc(-c3ncc4c(-c5cnc(C)c(C(=O)Nc6ccccc6)c5)cccn34)c(F)c2F)c1
InChIInChI=1S/C53H34F6N8O3/c1-28-39(51(68)64-32-9-4-3-5-10-32)21-30(24-60-28)35-13-8-20-67-44(35)27-63-50(67)38-17-16-36(47(56)48(38)57)41-23-33(15-18-45(41)70-53(58)59)65-52(69)40-22-31(25-61-29(40)2)34-12-7-19-66-43(34)26-62-49(66)37-11-6-14-42(54)46(37)55/h3-27,53H,1-2H3,(H,64,68)(H,65,69)
InChIKeyWVKNCHCMTDEKTM-UHFFFAOYSA-N
XLogP12.39
TPSA127.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.90
LogP ≤ 512.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide (CID 155180876) is 5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide is Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(OC(F)F)c(-c2ccc(-c3ncc4c(-c5cnc(C)c(C(=O)Nc6ccccc6)c5)cccn34)c(F)c2F)c1.
What is the InChIKey of 5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is WVKNCHCMTDEKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34F6N8O3/c1-28-39(51(68)64-32-9-4-3-5-10-32)21-30(24-60-28)35-13-8-20-67-44(35)27-63-50(67)38-17-16-36(47(56)48(38)57)41-23-33(15-18-45(41)70-53(58)59)65-52(69)40-22-31(25-61-29(40)2)34-12-7-19-66-43(34)26-62-49(66)37-11-6-14-42(54)46(37)55/h3-27,53H,1-2H3,(H,64,68)(H,65,69).
What are the key properties of 5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide?
5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 944.90 g/mol, XLogP of 12.39, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[2-(difluoromethoxy)-5-[[5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carbonyl]amino]phenyl]-2,3-difluorophenyl]imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 155180876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).