N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide

C26H26N4O2 — CID 71841173

IUPACN-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(Cn2c(=O)n(CCNC(=O)C3(c4ccccc4)CC3)c3ncccc32)cc1
InChIInChI=1S/C26H26N4O2/c1-19-9-11-20(12-10-19)18-30-22-8-5-15-27-23(22)29(25(30)32)17-16-28-24(31)26(13-14-26)21-6-3-2-4-7-21/h2-12,15H,13-14,16-18H2,1H3,(H,28,31)
InChIKeyPVZFXCXLLBETDN-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.40
Rot. Bonds7

About N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide

N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 71841173) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID71841173
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(Cn2c(=O)n(CCNC(=O)C3(c4ccccc4)CC3)c3ncccc32)cc1
InChIInChI=1S/C26H26N4O2/c1-19-9-11-20(12-10-19)18-30-22-8-5-15-27-23(22)29(25(30)32)17-16-28-24(31)26(13-14-26)21-6-3-2-4-7-21/h2-12,15H,13-14,16-18H2,1H3,(H,28,31)
InChIKeyPVZFXCXLLBETDN-UHFFFAOYSA-N
XLogP3.40
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide (CID 71841173) is N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide is Cc1ccc(Cn2c(=O)n(CCNC(=O)C3(c4ccccc4)CC3)c3ncccc32)cc1.
What is the InChIKey of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is PVZFXCXLLBETDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-19-9-11-20(12-10-19)18-30-22-8-5-15-27-23(22)29(25(30)32)17-16-28-24(31)26(13-14-26)21-6-3-2-4-7-21/h2-12,15H,13-14,16-18H2,1H3,(H,28,31).
What are the key properties of N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide?
N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-methylphenyl)methyl]-2-oxoimidazo[4,5-b]pyridin-3-yl]ethyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 71841173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).