2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

C21H25ClN4O2 — CID 46076163

IUPAC2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC1CCN(C(=O)c2n[nH]c3c2CN(C(=O)Cc2ccccc2Cl)CC3)CC1
InChIInChI=1S/C21H25ClN4O2/c1-14-6-9-25(10-7-14)21(28)20-16-13-26(11-8-18(16)23-24-20)19(27)12-15-4-2-3-5-17(15)22/h2-5,14H,6-13H2,1H3,(H,23,24)
InChIKeyQUHZZQIYMUTVAK-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.06
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 46076163) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID46076163
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC1CCN(C(=O)c2n[nH]c3c2CN(C(=O)Cc2ccccc2Cl)CC3)CC1
InChIInChI=1S/C21H25ClN4O2/c1-14-6-9-25(10-7-14)21(28)20-16-13-26(11-8-18(16)23-24-20)19(27)12-15-4-2-3-5-17(15)22/h2-5,14H,6-13H2,1H3,(H,23,24)
InChIKeyQUHZZQIYMUTVAK-UHFFFAOYSA-N
XLogP3.06
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tinlarebant
CID 92044505
[4-(2-chloro-3-fluorophenyl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
CID 118483372
[4-[3,4-Difluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-[5-(3,3,3-trifluoropropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]methanone
CID 118483410
1-[3-[4-[3,5-Bis(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 118483501
1-[3-[4-[3-Fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]ethanone
CID 118483546
3-(4-chlorophenyl)-N-[(1-methylpiperidin-4-ylidene)amino]-1H-pyrazole-5-carboxamide
CID 4096003
N'-[(E)-(2-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 6861946
N5-(3-chlorophenyl)-N3-methoxy-N3-methyl-1,4,6,7-tetrahydropyrazolo [4,3-c]pyridine-3,5-dicarboxamide
CID 121435429
N5-(3-chlorophenyl)-N3-ethyl-N3-methoxy-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 121437168
3-[4-(2-Chloro-3-fluorophenyl)piperidine-1-carbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile
CID 118483414
3-(2,4-dichlorophenyl)-N-isobutyl-1H-pyrazole-5-carboxamide
CID 19509990
(3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl)(4-methylpiperazin-1-yl)methanone
CID 24178134

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 46076163) is 2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is CC1CCN(C(=O)c2n[nH]c3c2CN(C(=O)Cc2ccccc2Cl)CC3)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is QUHZZQIYMUTVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-14-6-9-25(10-7-14)21(28)20-16-13-26(11-8-18(16)23-24-20)19(27)12-15-4-2-3-5-17(15)22/h2-5,14H,6-13H2,1H3,(H,23,24).
What are the key properties of 2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 400.91 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[3-(4-methylpiperidine-1-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 46076163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).