[4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

C27H28ClN5O — CID 46559622

IUPAC[4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C27H28ClN5O/c1-18(2)33-26-22(17-29-33)21(16-24(30-26)20-9-5-4-8-19(20)3)27(34)32-14-12-31(13-15-32)25-11-7-6-10-23(25)28/h4-11,16-18H,12-15H2,1-3H3
InChIKeyPJIMCDFHIWPBPP-UHFFFAOYSA-N
MW474.01 g/mol
LogP5.60
Rot. Bonds4

About [4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone

[4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 46559622) has the molecular formula C27H28ClN5O and a molecular weight of 474.01 g/mol. Its IUPAC name is [4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID46559622
Molecular FormulaC27H28ClN5O
Molecular Weight474.01 g/mol
Exact Mass473.20
IUPAC Name[4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C27H28ClN5O/c1-18(2)33-26-22(17-29-33)21(16-24(30-26)20-9-5-4-8-19(20)3)27(34)32-14-12-31(13-15-32)25-11-7-6-10-23(25)28/h4-11,16-18H,12-15H2,1-3H3
InChIKeyPJIMCDFHIWPBPP-UHFFFAOYSA-N
XLogP5.60
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.01
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methyl-1,4-diazepan-1-yl)-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 78835832
(3-methoxyphenyl)-[4-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]methanone
CID 46570445
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 26026281
[6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 24606529
N-methyl-6-(2-methylphenyl)-1-propan-2-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55492047
[6-(2,5-dimethylfuran-3-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 55487028
6-(2-methylphenyl)-1-propan-2-yl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 55847840
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
[4-[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]piperazin-1-yl]-phenylmethanone
CID 46689804
[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 46507989
N-[(2R)-1-amino-1-oxopropan-2-yl]-N-methyl-6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86783261
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of [4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 46559622) is [4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for [4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for [4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is Cc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)c2cnn(C(C)C)c2n1.
What is the InChIKey of [4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is PJIMCDFHIWPBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O/c1-18(2)33-26-22(17-29-33)21(16-24(30-26)20-9-5-4-8-19(20)3)27(34)32-14-12-31(13-15-32)25-11-7-6-10-23(25)28/h4-11,16-18H,12-15H2,1-3H3.
What are the key properties of [4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone?
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 474.01 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)piperazin-1-yl]-[6-(2-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 46559622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).