(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone

C20H22N4O — CID 94249778

IUPAC(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
SMILESCc1ccn2cc(C(=O)N3CCCCC[C@H]3c3ccncc3)nc2c1
InChIInChI=1S/C20H22N4O/c1-15-8-12-23-14-17(22-19(23)13-15)20(25)24-11-4-2-3-5-18(24)16-6-9-21-10-7-16/h6-10,12-14,18H,2-5,11H2,1H3/t18-/m0/s1
InChIKeyWJCDPKXOLXOVRW-SFHVURJKSA-N
MW334.42 g/mol
LogP3.80
Rot. Bonds2

About (7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone

(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone (PubChem CID 94249778) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone.

Molecular Properties

Compound Name(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
PubChem CID94249778
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
SMILESCc1ccn2cc(C(=O)N3CCCCC[C@H]3c3ccncc3)nc2c1
InChIInChI=1S/C20H22N4O/c1-15-8-12-23-14-17(22-19(23)13-15)20(25)24-11-4-2-3-5-18(24)16-6-9-21-10-7-16/h6-10,12-14,18H,2-5,11H2,1H3/t18-/m0/s1
InChIKeyWJCDPKXOLXOVRW-SFHVURJKSA-N
XLogP3.80
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone with MolForge

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Related Compounds

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 51257064
(5-methyl-1-benzofuran-2-yl)-[(2R)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94808587
(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764274
methyl 6-[(2S)-2-pyridin-4-ylazepane-1-carbonyl]pyridine-2-carboxylate
CID 96999470
methyl 6-[(2R)-2-pyridin-4-ylazepane-1-carbonyl]pyridine-2-carboxylate
CID 94808535
4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide
CID 166186122
N-cycloheptyl-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 40723824
[2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(6-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 127246847
imidazo[1,2-a]pyridin-2-yl-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 53193496
imidazo[1,2-a]pyridin-2-yl-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 95111843
(5-methylpyrazin-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42942674
[(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 124887354

Frequently Asked Questions

What is the IUPAC name of (7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone?
The IUPAC name of (7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone (CID 94249778) is (7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone.
What is the SMILES notation for (7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone?
The canonical SMILES for (7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone is Cc1ccn2cc(C(=O)N3CCCCC[C@H]3c3ccncc3)nc2c1.
What is the InChIKey of (7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone?
The InChIKey is WJCDPKXOLXOVRW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-8-12-23-14-17(22-19(23)13-15)20(25)24-11-4-2-3-5-18(24)16-6-9-21-10-7-16/h6-10,12-14,18H,2-5,11H2,1H3/t18-/m0/s1.
What are the key properties of (7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone?
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone is sourced from PubChem (CID 94249778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).