(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C17H18ClN5O — CID 95347227

IUPAC(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1c(Cl)nc2ccccn12)N1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C17H18ClN5O/c18-16-15(23-11-4-2-7-14(23)20-16)17(24)22-10-3-1-6-13(22)12-21-9-5-8-19-21/h2,4-5,7-9,11,13H,1,3,6,10,12H2/t13-/m1/s1
InChIKeyFMTQJVDXLAUEJI-CYBMUJFWSA-N
MW343.82 g/mol
LogP2.88
Rot. Bonds3

About (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 95347227) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID95347227
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1c(Cl)nc2ccccn12)N1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C17H18ClN5O/c18-16-15(23-11-4-2-7-14(23)20-16)17(24)22-10-3-1-6-13(22)12-21-9-5-8-19-21/h2,4-5,7-9,11,13H,1,3,6,10,12H2/t13-/m1/s1
InChIKeyFMTQJVDXLAUEJI-CYBMUJFWSA-N
XLogP2.88
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

imidazo[1,2-a]pyridin-2-yl-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602635
[4-(pyrazol-1-ylmethyl)phenyl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347004
(4-chloro-1H-pyrrol-2-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602653
1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95602712
[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95323921
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95607603
(2-methylfuran-3-yl)-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95345998
(4-bromo-1H-pyrrol-2-yl)-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 56778866
3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-2H-isoquinolin-1-one
CID 95603596
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95353546
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[4-(pyrrol-1-ylmethyl)phenyl]methanone
CID 95323660

Frequently Asked Questions

What is the IUPAC name of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 95347227) is (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1c(Cl)nc2ccccn12)N1CCCC[C@@H]1Cn1cccn1.
What is the InChIKey of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is FMTQJVDXLAUEJI-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-16-15(23-11-4-2-7-14(23)20-16)17(24)22-10-3-1-6-13(22)12-21-9-5-8-19-21/h2,4-5,7-9,11,13H,1,3,6,10,12H2/t13-/m1/s1.
What are the key properties of (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
(2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 343.82 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroimidazo[1,2-a]pyridin-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95347227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).