[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

C24H27ClN4O — CID 92616884

IUPAC[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)c3cnn(C)c3C)CC2)n1
InChIInChI=1S/C24H27ClN4O/c1-16-12-18(13-20-6-4-5-7-22(20)25)14-23(27-16)19-8-10-29(11-9-19)24(30)21-15-26-28(3)17(21)2/h4-7,12,14-15,19H,8-11,13H2,1-3H3
InChIKeyAAPOUAGNLNYPIT-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.70
Rot. Bonds4

About [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone

[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (PubChem CID 92616884) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
PubChem CID92616884
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
SMILESCc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)c3cnn(C)c3C)CC2)n1
InChIInChI=1S/C24H27ClN4O/c1-16-12-18(13-20-6-4-5-7-22(20)25)14-23(27-16)19-8-10-29(11-9-19)24(30)21-15-26-28(3)17(21)2/h4-7,12,14-15,19H,8-11,13H2,1-3H3
InChIKeyAAPOUAGNLNYPIT-UHFFFAOYSA-N
XLogP4.70
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 122186075
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CID 164614581
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CID 164624443
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CID 850671
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CID 850684
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CID 22037230
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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone (CID 92616884) is [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)c3cnn(C)c3C)CC2)n1.
What is the InChIKey of [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
The InChIKey is AAPOUAGNLNYPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-16-12-18(13-20-6-4-5-7-22(20)25)14-23(27-16)19-8-10-29(11-9-19)24(30)21-15-26-28(3)17(21)2/h4-7,12,14-15,19H,8-11,13H2,1-3H3.
What are the key properties of [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone?
[4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone has a molecular weight of 422.96 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 92616884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).