[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone

C19H23ClN4O — CID 25285988

IUPAC[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone
SMILESCN1CCCC[C@@H]1C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C19H23ClN4O/c1-23-10-3-2-4-17(23)19(25)24-11-9-16-15(12-24)18(22-21-16)13-5-7-14(20)8-6-13/h5-8,17H,2-4,9-12H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyXLMXLHORVWHMAD-QGZVFWFLSA-N
MW358.87 g/mol
LogP3.10
Rot. Bonds2

About [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone

[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone (PubChem CID 25285988) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone
PubChem CID25285988
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone
SMILESCN1CCCC[C@@H]1C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C19H23ClN4O/c1-23-10-3-2-4-17(23)19(25)24-11-9-16-15(12-24)18(22-21-16)13-5-7-14(20)8-6-13/h5-8,17H,2-4,9-12H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyXLMXLHORVWHMAD-QGZVFWFLSA-N
XLogP3.10
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]pyrrolidin-1-yl]ethanone
CID 42518368
(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 108726038
(2R)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy-4-methylpentan-1-one
CID 95552162
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 108726093
3-(4-chlorophenyl)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 108725988
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2,6-dimethoxyphenyl)methanone
CID 108750140
2-methylpropyl 3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 108726019
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108750131
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007
2-(4-bromophenyl)-1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 108726070
ethyl 4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]piperidine-1-carboxylate
CID 42196962

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone?
The IUPAC name of [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone (CID 25285988) is [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone.
What is the SMILES notation for [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone?
The canonical SMILES for [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone is CN1CCCC[C@@H]1C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone?
The InChIKey is XLMXLHORVWHMAD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-23-10-3-2-4-17(23)19(25)24-11-9-16-15(12-24)18(22-21-16)13-5-7-14(20)8-6-13/h5-8,17H,2-4,9-12H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone?
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone has a molecular weight of 358.87 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-[(2R)-1-methylpiperidin-2-yl]methanone is sourced from PubChem (CID 25285988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).