1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C15H11N7O2 — CID 170737835

IUPAC1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(cnn2-c2cc(NC3CC3)c([N+](=O)[O-])cn2)c1
InChIInChI=1S/C15H11N7O2/c16-5-9-3-10-7-19-21(15(10)18-6-9)14-4-12(20-11-1-2-11)13(8-17-14)22(23)24/h3-4,6-8,11H,1-2H2,(H,17,20)
InChIKeyZCLWHTFLPWKGOF-UHFFFAOYSA-N
MW321.30 g/mol
LogP2.17
Rot. Bonds4

About 1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 170737835) has the molecular formula C15H11N7O2 and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID170737835
Molecular FormulaC15H11N7O2
Molecular Weight321.30 g/mol
Exact Mass321.10
IUPAC Name1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#Cc1cnc2c(cnn2-c2cc(NC3CC3)c([N+](=O)[O-])cn2)c1
InChIInChI=1S/C15H11N7O2/c16-5-9-3-10-7-19-21(15(10)18-6-9)14-4-12(20-11-1-2-11)13(8-17-14)22(23)24/h3-4,6-8,11H,1-2H2,(H,17,20)
InChIKeyZCLWHTFLPWKGOF-UHFFFAOYSA-N
XLogP2.17
TPSA122.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile 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

1-[4-(cyclopropylamino)-5-propan-2-yl-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 138727745
1-[5-methyl-4-(oxan-4-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 171406471
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(cyclopropylamino)-N-heptan-4-ylpyridine-3-carboxamide
CID 163400340
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-[(4-fluorocyclohexyl)amino]-N-(3-hydroxy-3-methylbutyl)pyridine-3-carboxamide
CID 123641912
1-[4-(cyclopropylamino)-5-[1-(4-hydroxypiperidin-3-yl)triazol-4-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135185298
4-(cyclopropylamino)-3-nitrobenzonitrile
CID 5215354
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(methylamino)pyridine-3-carboxamide
CID 171407015
6-[4-(4-bromo-2-nitroanilino)piperidin-1-yl]pyridine-3-carbonitrile
CID 133286740
1-[4-(cyclopentylamino)-5-[4-[4-(2-hydroxyethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 170737635
acetic acid;1-[4-(cyclopentylamino)-5-[4-[4-(hydroxymethyl)cyclohexyl]triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 174174938
4-[(3-aminocyclopentyl)amino]-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206491
1-[4-[[(1S,3R)-3-fluorocyclopentyl]amino]-5-[4-(3-methylbutyl)triazol-1-yl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 145219191

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 170737835) is 1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is N#Cc1cnc2c(cnn2-c2cc(NC3CC3)c([N+](=O)[O-])cn2)c1.
What is the InChIKey of 1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is ZCLWHTFLPWKGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N7O2/c16-5-9-3-10-7-19-21(15(10)18-6-9)14-4-12(20-11-1-2-11)13(8-17-14)22(23)24/h3-4,6-8,11H,1-2H2,(H,17,20).
What are the key properties of 1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 321.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 170737835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).