2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone

C29H28N6O — CID 25260631

IUPAC2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCC(c2ccn3c(-c4ccnc(-c5ccccc5)c4)cnc3c2)CC1
InChIInChI=1S/C29H28N6O/c1-21-30-12-16-34(21)20-29(36)33-13-8-22(9-14-33)24-10-15-35-27(19-32-28(35)18-24)25-7-11-31-26(17-25)23-5-3-2-4-6-23/h2-7,10-12,15-19,22H,8-9,13-14,20H2,1H3
InChIKeyKAXASJHTMHMQOU-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.97
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone

2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone (PubChem CID 25260631) has the molecular formula C29H28N6O and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone
PubChem CID25260631
Molecular FormulaC29H28N6O
Molecular Weight476.58 g/mol
Exact Mass476.23
IUPAC Name2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCC(c2ccn3c(-c4ccnc(-c5ccccc5)c4)cnc3c2)CC1
InChIInChI=1S/C29H28N6O/c1-21-30-12-16-34(21)20-29(36)33-13-8-22(9-14-33)24-10-15-35-27(19-32-28(35)18-24)25-7-11-31-26(17-25)23-5-3-2-4-6-23/h2-7,10-12,15-19,22H,8-9,13-14,20H2,1H3
InChIKeyKAXASJHTMHMQOU-UHFFFAOYSA-N
XLogP4.97
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone (CID 25260631) is 2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone is Cc1nccn1CC(=O)N1CCC(c2ccn3c(-c4ccnc(-c5ccccc5)c4)cnc3c2)CC1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone?
The InChIKey is KAXASJHTMHMQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O/c1-21-30-12-16-34(21)20-29(36)33-13-8-22(9-14-33)24-10-15-35-27(19-32-28(35)18-24)25-7-11-31-26(17-25)23-5-3-2-4-6-23/h2-7,10-12,15-19,22H,8-9,13-14,20H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone has a molecular weight of 476.58 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 25260631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).