N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine

C13H16N6O — CID 89351075

IUPACN-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine
SMILESONc1c(NCCCn2ccnc2)nn2ccccc12
InChIInChI=1S/C13H16N6O/c20-17-12-11-4-1-2-8-19(11)16-13(12)15-5-3-7-18-9-6-14-10-18/h1-2,4,6,8-10,17,20H,3,5,7H2,(H,15,16)
InChIKeyPVGBVURIUCLEIA-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.83
Rot. Bonds6

About N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine

N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine (PubChem CID 89351075) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine.

Molecular Properties

Compound NameN-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine
PubChem CID89351075
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine
SMILESONc1c(NCCCn2ccnc2)nn2ccccc12
InChIInChI=1S/C13H16N6O/c20-17-12-11-4-1-2-8-19(11)16-13(12)15-5-3-7-18-9-6-14-10-18/h1-2,4,6,8-10,17,20H,3,5,7H2,(H,15,16)
InChIKeyPVGBVURIUCLEIA-UHFFFAOYSA-N
XLogP1.83
TPSA79.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine
CID 73333742
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(3-imidazol-1-ylpropyl)-4-phenylphthalazin-1-amine
CID 11438900
N-(3-imidazol-1-ylpropyl)thiophen-2-amine
CID 91018147
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine
CID 102983953
4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539915
N-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)pyrazolo[1,5-a]quinazolin-5-amine;hydrochloride
CID 73334376
N-(3-imidazol-1-ylpropyl)-8-methylquinazolin-4-amine
CID 75483061

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine?
The IUPAC name of N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine (CID 89351075) is N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine.
What is the SMILES notation for N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine?
The canonical SMILES for N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine is ONc1c(NCCCn2ccnc2)nn2ccccc12.
What is the InChIKey of N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine?
The InChIKey is PVGBVURIUCLEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-17-12-11-4-1-2-8-19(11)16-13(12)15-5-3-7-18-9-6-14-10-18/h1-2,4,6,8-10,17,20H,3,5,7H2,(H,15,16).
What are the key properties of N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine?
N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine has a molecular weight of 272.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-imidazol-1-ylpropylamino)pyrazolo[1,5-a]pyridin-3-yl]hydroxylamine is sourced from PubChem (CID 89351075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).