3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide

C18H18N4O2 — CID 136587863

IUPAC3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)C3CC(O)C3)cc12
InChIInChI=1S/C18H18N4O2/c1-11-16-9-13(20-18(24)12-7-15(23)8-12)10-19-17(16)22(21-11)14-5-3-2-4-6-14/h2-6,9-10,12,15,23H,7-8H2,1H3,(H,20,24)
InChIKeyAZPKUYCHVUGLSH-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.44
Rot. Bonds3

About 3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide

3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide (PubChem CID 136587863) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
PubChem CID136587863
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(NC(=O)C3CC(O)C3)cc12
InChIInChI=1S/C18H18N4O2/c1-11-16-9-13(20-18(24)12-7-15(23)8-12)10-19-17(16)22(21-11)14-5-3-2-4-6-14/h2-6,9-10,12,15,23H,7-8H2,1H3,(H,20,24)
InChIKeyAZPKUYCHVUGLSH-UHFFFAOYSA-N
XLogP2.44
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108730127
(2R,5R)-5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)oxolane-2-carboxamide
CID 136587864
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 139018825
methyl 2-[4-[(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 108753799
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718
5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrazole-4-carboxamide
CID 108730123
2,3,6-trichloro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108730037
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide
CID 108730069
4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134024964
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrrolidine-2-carboxamide
CID 139009521

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The IUPAC name of 3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide (CID 136587863) is 3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide is Cc1nn(-c2ccccc2)c2ncc(NC(=O)C3CC(O)C3)cc12.
What is the InChIKey of 3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide?
The InChIKey is AZPKUYCHVUGLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-16-9-13(20-18(24)12-7-15(23)8-12)10-19-17(16)22(21-11)14-5-3-2-4-6-14/h2-6,9-10,12,15,23H,7-8H2,1H3,(H,20,24).
What are the key properties of 3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide?
3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 136587863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).