(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone

C21H23N3O — CID 90608540

IUPAC(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C21H23N3O/c1-16-20(24-14-8-6-12-19(24)22-16)21(25)23-13-7-5-11-18(15-23)17-9-3-2-4-10-17/h2-4,6,8-10,12,14,18H,5,7,11,13,15H2,1H3
InChIKeyWTPKWNFMJHOFAH-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.05
Rot. Bonds2

About (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone

(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone (PubChem CID 90608540) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone
PubChem CID90608540
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C21H23N3O/c1-16-20(24-14-8-6-12-19(24)22-16)21(25)23-13-7-5-11-18(15-23)17-9-3-2-4-10-17/h2-4,6,8-10,12,14,18H,5,7,11,13,15H2,1H3
InChIKeyWTPKWNFMJHOFAH-UHFFFAOYSA-N
XLogP4.05
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 121068888
4-[1-(2-methylimidazo[1,2-a]pyrimidine-3-carbonyl)piperidin-3-yl]benzoic acid
CID 72916751
(2-phenylimidazo[1,2-a]pyridin-3-yl)-pyrrolidin-1-ylmethanone
CID 155383445
[4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 90589173
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 121197401
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608578
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 90654006
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891685
(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
CID 90608386
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 121098600
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
(1-methyltriazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608567

Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone?
The IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone (CID 90608540) is (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone.
What is the SMILES notation for (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone?
The canonical SMILES for (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone is Cc1nc2ccccn2c1C(=O)N1CCCCC(c2ccccc2)C1.
What is the InChIKey of (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone?
The InChIKey is WTPKWNFMJHOFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-20(24-14-8-6-12-19(24)22-16)21(25)23-13-7-5-11-18(15-23)17-9-3-2-4-10-17/h2-4,6,8-10,12,14,18H,5,7,11,13,15H2,1H3.
What are the key properties of (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone?
(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone has a molecular weight of 333.44 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone is sourced from PubChem (CID 90608540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).