1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide

C18H17ClN4O — CID 86843439

IUPAC1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)C3(c4cccc(Cl)c4)CCC3)cc12
InChIInChI=1S/C18H17ClN4O/c1-11-15-9-14(10-20-16(15)23-22-11)21-17(24)18(6-3-7-18)12-4-2-5-13(19)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyAMUJQPXSFBCEQE-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.98
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide (PubChem CID 86843439) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
PubChem CID86843439
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)C3(c4cccc(Cl)c4)CCC3)cc12
InChIInChI=1S/C18H17ClN4O/c1-11-15-9-14(10-20-16(15)23-22-11)21-17(24)18(6-3-7-18)12-4-2-5-13(19)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyAMUJQPXSFBCEQE-UHFFFAOYSA-N
XLogP3.98
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-chlorophenyl)-N-pyridin-4-ylcyclohexane-1-carboxamide
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1-(3-chlorophenyl)-N-(3-fluorophenyl)cyclobutane-1-carboxamide
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N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
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1-(3-chlorophenyl)-N'-[2-(2-ethoxyphenoxy)acetyl]cyclobutane-1-carbohydrazide
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1-(3-chlorophenyl)-N-(6-oxo-1H-pyrazin-2-yl)cyclohexane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide (CID 86843439) is 1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide is Cc1[nH]nc2ncc(NC(=O)C3(c4cccc(Cl)c4)CCC3)cc12.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The InChIKey is AMUJQPXSFBCEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-15-9-14(10-20-16(15)23-22-11)21-17(24)18(6-3-7-18)12-4-2-5-13(19)8-12/h2,4-5,8-10H,3,6-7H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 86843439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).