N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide

C52H30F8N8O2 — CID 138735947

IUPACN-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4ccccc4F)ncc23)cc1C(=O)Nc1ccc(F)cc1-c1ccc(-c2ncc3c(-c4cnc(C(F)(F)F)c(C(=O)Nc5ccc(F)cc5)c4)cccn23)c(F)c1F
InChIInChI=1S/C52H30F8N8O2/c1-27-38(20-28(23-61-27)33-7-4-18-67-43(33)25-63-48(67)36-6-2-3-9-41(36)55)50(69)66-42-17-12-31(54)22-39(42)35-15-16-37(46(57)45(35)56)49-64-26-44-34(8-5-19-68(44)49)29-21-40(47(62-24-29)52(58,59)60)51(70)65-32-13-10-30(53)11-14-32/h2-26H,1H3,(H,65,70)(H,66,69)
InChIKeySYMRWBZNIIHNCI-UHFFFAOYSA-N
MW950.85 g/mol
LogP12.63
Rot. Bonds9

About N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide

N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide (PubChem CID 138735947) has the molecular formula C52H30F8N8O2 and a molecular weight of 950.85 g/mol. Its IUPAC name is N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide
PubChem CID138735947
Molecular FormulaC52H30F8N8O2
Molecular Weight950.85 g/mol
Exact Mass950.24
IUPAC NameN-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2cccn3c(-c4ccccc4F)ncc23)cc1C(=O)Nc1ccc(F)cc1-c1ccc(-c2ncc3c(-c4cnc(C(F)(F)F)c(C(=O)Nc5ccc(F)cc5)c4)cccn23)c(F)c1F
InChIInChI=1S/C52H30F8N8O2/c1-27-38(20-28(23-61-27)33-7-4-18-67-43(33)25-63-48(67)36-6-2-3-9-41(36)55)50(69)66-42-17-12-31(54)22-39(42)35-15-16-37(46(57)45(35)56)49-64-26-44-34(8-5-19-68(44)49)29-21-40(47(62-24-29)52(58,59)60)51(70)65-32-13-10-30(53)11-14-32/h2-26H,1H3,(H,65,70)(H,66,69)
InChIKeySYMRWBZNIIHNCI-UHFFFAOYSA-N
XLogP12.63
TPSA118.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500950.85
LogP ≤ 512.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide (CID 138735947) is N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide is Cc1ncc(-c2cccn3c(-c4ccccc4F)ncc23)cc1C(=O)Nc1ccc(F)cc1-c1ccc(-c2ncc3c(-c4cnc(C(F)(F)F)c(C(=O)Nc5ccc(F)cc5)c4)cccn23)c(F)c1F.
What is the InChIKey of N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide?
The InChIKey is SYMRWBZNIIHNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30F8N8O2/c1-27-38(20-28(23-61-27)33-7-4-18-67-43(33)25-63-48(67)36-6-2-3-9-41(36)55)50(69)66-42-17-12-31(54)22-39(42)35-15-16-37(46(57)45(35)56)49-64-26-44-34(8-5-19-68(44)49)29-21-40(47(62-24-29)52(58,59)60)51(70)65-32-13-10-30(53)11-14-32/h2-26H,1H3,(H,65,70)(H,66,69).
What are the key properties of N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide?
N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide has a molecular weight of 950.85 g/mol, XLogP of 12.63, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,3-difluoro-4-[8-[5-[(4-fluorophenyl)carbamoyl]-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-a]pyridin-3-yl]phenyl]-4-fluorophenyl]-5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 138735947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).