N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide

C20H20ClFN4O2 — CID 123819245

IUPACN-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide
SMILESCC12CCCCN1CN(c1ccc(NC(=O)c3ncccc3F)cc1Cl)C2=O
InChIInChI=1S/C20H20ClFN4O2/c1-20-8-2-3-10-25(20)12-26(19(20)28)16-7-6-13(11-14(16)21)24-18(27)17-15(22)5-4-9-23-17/h4-7,9,11H,2-3,8,10,12H2,1H3,(H,24,27)
InChIKeyYSVCYEAKFFYQGD-UHFFFAOYSA-N
MW402.86 g/mol
LogP3.68
Rot. Bonds3

About N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide

N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide (PubChem CID 123819245) has the molecular formula C20H20ClFN4O2 and a molecular weight of 402.86 g/mol. Its IUPAC name is N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide
PubChem CID123819245
Molecular FormulaC20H20ClFN4O2
Molecular Weight402.86 g/mol
Exact Mass402.13
IUPAC NameN-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide
SMILESCC12CCCCN1CN(c1ccc(NC(=O)c3ncccc3F)cc1Cl)C2=O
InChIInChI=1S/C20H20ClFN4O2/c1-20-8-2-3-10-25(20)12-26(19(20)28)16-7-6-13(11-14(16)21)24-18(27)17-15(22)5-4-9-23-17/h4-7,9,11H,2-3,8,10,12H2,1H3,(H,24,27)
InChIKeyYSVCYEAKFFYQGD-UHFFFAOYSA-N
XLogP3.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide?
The IUPAC name of N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide (CID 123819245) is N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide is CC12CCCCN1CN(c1ccc(NC(=O)c3ncccc3F)cc1Cl)C2=O.
What is the InChIKey of N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide?
The InChIKey is YSVCYEAKFFYQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O2/c1-20-8-2-3-10-25(20)12-26(19(20)28)16-7-6-13(11-14(16)21)24-18(27)17-15(22)5-4-9-23-17/h4-7,9,11H,2-3,8,10,12H2,1H3,(H,24,27).
What are the key properties of N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide?
N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide has a molecular weight of 402.86 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8a-methyl-1-oxo-5,6,7,8-tetrahydro-3H-imidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]-3-fluoropyridine-2-carboxamide is sourced from PubChem (CID 123819245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).