N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide

C16H14N4O3 — CID 135435009

IUPACN-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccc(O)c(O)c3)ccc12)C1CC1
InChIInChI=1S/C16H14N4O3/c21-12-6-3-9(7-13(12)22)11-5-4-10-14(17-11)19-20-15(10)18-16(23)8-1-2-8/h3-8,21-22H,1-2H2,(H2,17,18,19,20,23)
InChIKeyKUDIRKNAQFWKAI-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.38
Rot. Bonds3

About N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide

N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide (PubChem CID 135435009) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
PubChem CID135435009
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2nc(-c3ccc(O)c(O)c3)ccc12)C1CC1
InChIInChI=1S/C16H14N4O3/c21-12-6-3-9(7-13(12)22)11-5-4-10-14(17-11)19-20-15(10)18-16(23)8-1-2-8/h3-8,21-22H,1-2H2,(H2,17,18,19,20,23)
InChIKeyKUDIRKNAQFWKAI-UHFFFAOYSA-N
XLogP2.38
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135435011
N-[5-chloro-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135435012
N-(5-bromo-6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1-methylpiperidine-4-carboxamide
CID 135435015
N-[6-(3-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539569
N-[6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539570
4-(4-ethylpiperazin-1-yl)-N-[6-(3-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
CID 6539585
N-[6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135435008
N-[6-(2-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135435010
N-[6-(4-hydroxyphenyl)-5-methyl-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135435013
N-[6-(4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
CID 135435014
N-[6-(3-bromo-4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135435016
N-[6-(3-chloro-4-hydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135435017

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide (CID 135435009) is N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide is O=C(Nc1n[nH]c2nc(-c3ccc(O)c(O)c3)ccc12)C1CC1.
What is the InChIKey of N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is KUDIRKNAQFWKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-12-6-3-9(7-13(12)22)11-5-4-10-14(17-11)19-20-15(10)18-16(23)8-1-2-8/h3-8,21-22H,1-2H2,(H2,17,18,19,20,23).
What are the key properties of N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide?
N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 135435009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).