6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

C20H15N5O2 — CID 4897145

IUPAC6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c12
InChIInChI=1S/C20H15N5O2/c1-11-17-18(12-7-8-15(26)16(27)9-12)14(10-21)19(22)23-20(17)25(24-11)13-5-3-2-4-6-13/h2-9,26-27H,1H3,(H2,22,23)
InChIKeyFMRRVKMKGQZGRP-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.26
Rot. Bonds2

About 6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile

6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 4897145) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID4897145
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESCc1nn(-c2ccccc2)c2nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c12
InChIInChI=1S/C20H15N5O2/c1-11-17-18(12-7-8-15(26)16(27)9-12)14(10-21)19(22)23-20(17)25(24-11)13-5-3-2-4-6-13/h2-9,26-27H,1H3,(H2,22,23)
InChIKeyFMRRVKMKGQZGRP-UHFFFAOYSA-N
XLogP3.26
TPSA120.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Phtpp
CID 11201035
4,4'-(5,7-Bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2,3-diyl)diphenol
CID 135457889
6-amino-4-(2-hydroxy-3-methoxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4890678
4-[3-Phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 135409570
6-(4-tert-Butylphenyl)-4-(2-hydroxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 154733033
6-(4-Ethylphenyl)-4-(2-hydroxyphenyl)-1,3-diphenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207555
4-(2-Hydroxyphenyl)-6-(4-iodophenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207556
6-(1,3-Benzodioxol-5-yl)-4-(2-hydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207561
6-(4-Fluorophenyl)-4-(2-hydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207562
4-(2-Hydroxyphenyl)-3-methyl-1-phenyl-6-(4-propylphenyl)pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207566
4-(2-Hydroxyphenyl)-3-methyl-6-(3-methylphenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207568
6-(3-Ethylphenyl)-4-(2-hydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207573

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile (CID 4897145) is 6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c12.
What is the InChIKey of 6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is FMRRVKMKGQZGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-11-17-18(12-7-8-15(26)16(27)9-12)14(10-21)19(22)23-20(17)25(24-11)13-5-3-2-4-6-13/h2-9,26-27H,1H3,(H2,22,23).
What are the key properties of 6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile?
6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 357.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 4897145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).