2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

C18H21N5O — CID 124967892

IUPAC2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cn[nH]c1[C@@H]1CCN(C(=O)Cc2c(C)nc3ccccn23)C1
InChIInChI=1S/C18H21N5O/c1-12-10-19-21-18(12)14-6-8-22(11-14)17(24)9-15-13(2)20-16-5-3-4-7-23(15)16/h3-5,7,10,14H,6,8-9,11H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyIWRPTDAAJLMOHK-CQSZACIVSA-N
MW323.40 g/mol
LogP2.23
Rot. Bonds3

About 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 124967892) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID124967892
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESCc1cn[nH]c1[C@@H]1CCN(C(=O)Cc2c(C)nc3ccccn23)C1
InChIInChI=1S/C18H21N5O/c1-12-10-19-21-18(12)14-6-8-22(11-14)17(24)9-15-13(2)20-16-5-3-4-7-23(15)16/h3-5,7,10,14H,6,8-9,11H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyIWRPTDAAJLMOHK-CQSZACIVSA-N
XLogP2.23
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone (CID 124967892) is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone is Cc1cn[nH]c1[C@@H]1CCN(C(=O)Cc2c(C)nc3ccccn23)C1.
What is the InChIKey of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is IWRPTDAAJLMOHK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-10-19-21-18(12)14-6-8-22(11-14)17(24)9-15-13(2)20-16-5-3-4-7-23(15)16/h3-5,7,10,14H,6,8-9,11H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 323.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124967892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).