N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide

C18H18N4O — CID 6539537

IUPACN-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide
SMILESO=C(Nc1[nH]nc2ncc(-c3ccccc3)cc12)C1CCCC1
InChIInChI=1S/C18H18N4O/c23-18(13-8-4-5-9-13)20-17-15-10-14(11-19-16(15)21-22-17)12-6-2-1-3-7-12/h1-3,6-7,10-11,13H,4-5,8-9H2,(H2,19,20,21,22,23)
InChIKeyNJFATVGYCPEPCY-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.75
Rot. Bonds3

About N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide

N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide (PubChem CID 6539537) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide
PubChem CID6539537
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide
SMILESO=C(Nc1[nH]nc2ncc(-c3ccccc3)cc12)C1CCCC1
InChIInChI=1S/C18H18N4O/c23-18(13-8-4-5-9-13)20-17-15-10-14(11-19-16(15)21-22-17)12-6-2-1-3-7-12/h1-3,6-7,10-11,13H,4-5,8-9H2,(H2,19,20,21,22,23)
InChIKeyNJFATVGYCPEPCY-UHFFFAOYSA-N
XLogP3.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide (CID 6539537) is N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide is O=C(Nc1[nH]nc2ncc(-c3ccccc3)cc12)C1CCCC1.
What is the InChIKey of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
The InChIKey is NJFATVGYCPEPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-18(13-8-4-5-9-13)20-17-15-10-14(11-19-16(15)21-22-17)12-6-2-1-3-7-12/h1-3,6-7,10-11,13H,4-5,8-9H2,(H2,19,20,21,22,23).
What are the key properties of N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide?
N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 6539537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).