1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

C15H10N8O — CID 170737644

IUPAC1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CCNc1cc(-n2ncc3cc(C#N)cnc32)ncc1/C=N/O
InChIInChI=1S/C15H10N8O/c16-1-2-18-13-4-14(19-7-12(13)9-22-24)23-15-11(8-21-23)3-10(5-17)6-20-15/h3-4,6-9,24H,2H2,(H,18,19)/b22-9+
InChIKeyXSVJMAXJBXPAAT-LSFURLLWSA-N
MW318.30 g/mol
LogP1.43
Rot. Bonds4

About 1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile

1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 170737644) has the molecular formula C15H10N8O and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID170737644
Molecular FormulaC15H10N8O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CCNc1cc(-n2ncc3cc(C#N)cnc32)ncc1/C=N/O
InChIInChI=1S/C15H10N8O/c16-1-2-18-13-4-14(19-7-12(13)9-22-24)23-15-11(8-21-23)3-10(5-17)6-20-15/h3-4,6-9,24H,2H2,(H,18,19)/b22-9+
InChIKeyXSVJMAXJBXPAAT-LSFURLLWSA-N
XLogP1.43
TPSA135.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-4-(methylamino)pyridine-3-carboxamide
CID 171407015
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)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxamide
CID 118206604
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-[[(2S)-oxolan-2-yl]methylamino]pyridine-3-carboxylic acid
CID 171406902
1-[5-[3-(3-hydroxy-3-methylbutyl)-1,2-oxazol-5-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135185299
1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135200851
1-[5-(1,2-oxazol-5-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 139334151
1-[4-(cyclopropylamino)-5-nitro-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 170737835
4-(4-cyanoanilino)-6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
CID 118206386
6-(5-cyanopyrazolo[5,4-b]pyridin-1-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-hydroxy-3-methylbutyl)amino]pyridine-3-carboxamide
CID 118206833

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 170737644) is 1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CCNc1cc(-n2ncc3cc(C#N)cnc32)ncc1/C=N/O.
What is the InChIKey of 1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is XSVJMAXJBXPAAT-LSFURLLWSA-N. The full InChI is InChI=1S/C15H10N8O/c16-1-2-18-13-4-14(19-7-12(13)9-22-24)23-15-11(8-21-23)3-10(5-17)6-20-15/h3-4,6-9,24H,2H2,(H,18,19)/b22-9+.
What are the key properties of 1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile?
1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 318.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyanomethylamino)-5-[(E)-hydroxyiminomethyl]-2-pyridinyl]pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 170737644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).