[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone

C23H25ClN4O2 — CID 78829190

IUPAC[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC(OCc4ccccc4)CC3)n2)n1
InChIInChI=1S/C23H25ClN4O2/c1-16-14-17(2)28(26-16)21-9-8-20(24)22(25-21)23(29)27-12-10-19(11-13-27)30-15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyGPOLFGDGRFAWGL-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.36
Rot. Bonds5

About [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone

[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 78829190) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID78829190
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC(OCc4ccccc4)CC3)n2)n1
InChIInChI=1S/C23H25ClN4O2/c1-16-14-17(2)28(26-16)21-9-8-20(24)22(25-21)23(29)27-12-10-19(11-13-27)30-15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3
InChIKeyGPOLFGDGRFAWGL-UHFFFAOYSA-N
XLogP4.36
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 78836013
N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784946
2-[4-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112800729
[2-chloro-5-(3,5-dimethylpyrazol-1-yl)phenyl]-(4-ethoxypiperidin-1-yl)methanone;hydrochloride
CID 171667489
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 55360910
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone
CID 119578584
1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 78829736
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 55597417
(5-chloro-1,3-dimethylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 56807408
N-benzyl-3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 78795969
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 78866642
2-[4-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 78830133

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone (CID 78829190) is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3CCC(OCc4ccccc4)CC3)n2)n1.
What is the InChIKey of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is GPOLFGDGRFAWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-16-14-17(2)28(26-16)21-9-8-20(24)22(25-21)23(29)27-12-10-19(11-13-27)30-15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3.
What are the key properties of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone?
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 424.93 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 78829190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).