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

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Related Compounds

ethyl 4-[3-(2-phenyl-4-pyridinyl)imidazo[1,2-a]pyridin-7-yl]benzoate
CID 25262646
2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110102963
2-(2-methylimidazol-1-yl)-1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124962838
3-(2-phenyl-4-pyridinyl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridine
CID 25260942
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 127246352
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-(2-pyridin-4-yl-4-pyridinyl)pyrrolidin-1-yl]propan-1-one
CID 95203716
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 70767253
1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560742
1-[2-(2-phenylimidazol-1-yl)acetyl]piperidin-4-one
CID 61071787
(4R)-2-methyl-9-[2-(2-methylimidazol-1-yl)acetyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97197653
4-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 130237892
1-[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
CID 72861942

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).