2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol

C15H17N7O2 — CID 58611183

IUPAC2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol
SMILES[H]/N=C1\C=C(N)/C(=N/C(CO)CO)N=C1Nc1cnn2ccccc12
InChIInChI=1S/C15H17N7O2/c16-10-5-11(17)15(21-14(10)19-9(7-23)8-24)20-12-6-18-22-4-2-1-3-13(12)22/h1-6,9,17,23-24H,7-8,16H2,(H,19,20,21)/b17-11+
InChIKeyGPKWFARBIKETIR-GZTJUZNOSA-N
MW327.35 g/mol
LogP-0.23
Rot. Bonds4

About 2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol

2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol (PubChem CID 58611183) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol
PubChem CID58611183
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol
SMILES[H]/N=C1\C=C(N)/C(=N/C(CO)CO)N=C1Nc1cnn2ccccc12
InChIInChI=1S/C15H17N7O2/c16-10-5-11(17)15(21-14(10)19-9(7-23)8-24)20-12-6-18-22-4-2-1-3-13(12)22/h1-6,9,17,23-24H,7-8,16H2,(H,19,20,21)/b17-11+
InChIKeyGPKWFARBIKETIR-GZTJUZNOSA-N
XLogP-0.23
TPSA144.38 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol with MolForge

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Related Compounds

3-imino-2-N-[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]-6-[2-[(2-methylpropan-2-yl)oxy]pyrazolo[1,5-a]pyridin-3-yl]iminopyridine-2,5-diamine
CID 121421020
3-imino-2-N-(2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)-6-(2-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl)iminopyridine-2,5-diamine
CID 121421081
3-N-[5-amino-3-imino-6-[2-(3-morpholin-4-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]imino-2-pyridinyl]-2-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyridine-2,3-diamine
CID 121421007
4-(pyrazolo[1,5-a]pyridin-3-ylamino)phenol
CID 22402121
N-pyrazolo[1,5-a]pyridin-3-ylmorpholin-4-amine
CID 67250767
1-pyrazolo[1,5-a]pyridin-3-ylbutylhydrazine
CID 103129377
2,4,6-tribromo-N-pyrazolo[1,5-a]pyridin-3-ylbenzenesulfonamide
CID 166387264
methyl N-[(2S)-3-methyl-1-oxo-1-(pyrazolo[1,5-a]pyridin-3-ylamino)butan-2-yl]carbamate
CID 126841562
2-[6-amino-4-imino-3-[2-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-1,5-dien-1-yl]oxyethanol
CID 59561390
N-(3-oxopentan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 103118085
2-[6-amino-4-imino-3-[2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]pyrazolo[1,5-a]pyridin-3-yl]iminocyclohexa-1,5-dien-1-yl]oxyethanol
CID 123193698
2-pyrazolo[1,5-a]pyridin-3-ylacetonitrile
CID 14145807

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol?
The IUPAC name of 2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol (CID 58611183) is 2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol.
What is the SMILES notation for 2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol?
The canonical SMILES for 2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol is [H]/N=C1\C=C(N)/C(=N/C(CO)CO)N=C1Nc1cnn2ccccc12.
What is the InChIKey of 2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol?
The InChIKey is GPKWFARBIKETIR-GZTJUZNOSA-N. The full InChI is InChI=1S/C15H17N7O2/c16-10-5-11(17)15(21-14(10)19-9(7-23)8-24)20-12-6-18-22-4-2-1-3-13(12)22/h1-6,9,17,23-24H,7-8,16H2,(H,19,20,21)/b17-11+.
What are the key properties of 2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol?
2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol has a molecular weight of 327.35 g/mol, XLogP of -0.23, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-5-imino-6-(pyrazolo[1,5-a]pyridin-3-ylamino)-2-pyridinylidene]amino]propane-1,3-diol is sourced from PubChem (CID 58611183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).