(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone

C17H23N5O — CID 126891685

IUPAC(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCc1nc2ccccn2c1C(=O)N1CC(N2CCN(C)CC2)C1
InChIInChI=1S/C17H23N5O/c1-13-16(22-6-4-3-5-15(22)18-13)17(23)21-11-14(12-21)20-9-7-19(2)8-10-20/h3-6,14H,7-12H2,1-2H3
InChIKeyMIFDAARXPYJVKN-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.71
Rot. Bonds2

About (2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone

(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone (PubChem CID 126891685) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
PubChem CID126891685
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
SMILESCc1nc2ccccn2c1C(=O)N1CC(N2CCN(C)CC2)C1
InChIInChI=1S/C17H23N5O/c1-13-16(22-6-4-3-5-15(22)18-13)17(23)21-11-14(12-21)20-9-7-19(2)8-10-20/h3-6,14H,7-12H2,1-2H3
InChIKeyMIFDAARXPYJVKN-UHFFFAOYSA-N
XLogP0.71
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 121154699
(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-phenylazepan-1-yl)methanone
CID 90608540
(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
[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
(2-methylimidazo[1,2-a]pyridin-3-yl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331711
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166285321
(2-methyl-2,3-dihydroindol-1-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 3186577
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891681
(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
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342399

Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone (CID 126891685) is (2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone is Cc1nc2ccccn2c1C(=O)N1CC(N2CCN(C)CC2)C1.
What is the InChIKey of (2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
The InChIKey is MIFDAARXPYJVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-16(22-6-4-3-5-15(22)18-13)17(23)21-11-14(12-21)20-9-7-19(2)8-10-20/h3-6,14H,7-12H2,1-2H3.
What are the key properties of (2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone?
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 126891685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).