2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide

C28H21ClN6O3 — CID 118054834

IUPAC2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide
SMILESCOc1cn(C(Cc2ccccn2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C28H21ClN6O3/c1-38-25-17-35(27(36)14-23(25)22-12-19(29)6-5-18(22)15-30)24(13-20-4-2-3-9-31-20)28(37)33-21-7-8-26-32-10-11-34(26)16-21/h2-12,14,16-17,24H,13H2,1H3,(H,33,37)
InChIKeyXPUMGIIZTYUOQT-UHFFFAOYSA-N
MW524.97 g/mol
LogP4.51
Rot. Bonds7

About 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide

2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide (PubChem CID 118054834) has the molecular formula C28H21ClN6O3 and a molecular weight of 524.97 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide
PubChem CID118054834
Molecular FormulaC28H21ClN6O3
Molecular Weight524.97 g/mol
Exact Mass524.14
IUPAC Name2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide
SMILESCOc1cn(C(Cc2ccccn2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C28H21ClN6O3/c1-38-25-17-35(27(36)14-23(25)22-12-19(29)6-5-18(22)15-30)24(13-20-4-2-3-9-31-20)28(37)33-21-7-8-26-32-10-11-34(26)16-21/h2-12,14,16-17,24H,13H2,1H3,(H,33,37)
InChIKeyXPUMGIIZTYUOQT-UHFFFAOYSA-N
XLogP4.51
TPSA114.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.97
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide?
The IUPAC name of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide (CID 118054834) is 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide?
The canonical SMILES for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide is COc1cn(C(Cc2ccccn2)C(=O)Nc2ccc3nccn3c2)c(=O)cc1-c1cc(Cl)ccc1C#N.
What is the InChIKey of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide?
The InChIKey is XPUMGIIZTYUOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN6O3/c1-38-25-17-35(27(36)14-23(25)22-12-19(29)6-5-18(22)15-30)24(13-20-4-2-3-9-31-20)28(37)33-21-7-8-26-32-10-11-34(26)16-21/h2-12,14,16-17,24H,13H2,1H3,(H,33,37).
What are the key properties of 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide?
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide has a molecular weight of 524.97 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-imidazo[1,2-a]pyridin-6-yl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 118054834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).