3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one

C14H17N5O — CID 136949896

IUPAC3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILES[H]/N=C/C(=C\N)c1nn(C2CCCC2)c2cc[nH]c(=O)c12
InChIInChI=1S/C14H17N5O/c15-7-9(8-16)13-12-11(5-6-17-14(12)20)19(18-13)10-3-1-2-4-10/h5-8,10,15H,1-4,16H2,(H,17,20)/b9-8+,15-7+
InChIKeyBYMCNGLIWXEODL-ZGKCIRJHSA-N
MW271.32 g/mol
LogP1.79
Rot. Bonds3

About 3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one

3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 136949896) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID136949896
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILES[H]/N=C/C(=C\N)c1nn(C2CCCC2)c2cc[nH]c(=O)c12
InChIInChI=1S/C14H17N5O/c15-7-9(8-16)13-12-11(5-6-17-14(12)20)19(18-13)10-3-1-2-4-10/h5-8,10,15H,1-4,16H2,(H,17,20)/b9-8+,15-7+
InChIKeyBYMCNGLIWXEODL-ZGKCIRJHSA-N
XLogP1.79
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one (CID 136949896) is 3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one is [H]/N=C/C(=C\N)c1nn(C2CCCC2)c2cc[nH]c(=O)c12.
What is the InChIKey of 3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is BYMCNGLIWXEODL-ZGKCIRJHSA-N. The full InChI is InChI=1S/C14H17N5O/c15-7-9(8-16)13-12-11(5-6-17-14(12)20)19(18-13)10-3-1-2-4-10/h5-8,10,15H,1-4,16H2,(H,17,20)/b9-8+,15-7+.
What are the key properties of 3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one?
3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 271.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-amino-3-iminoprop-1-en-2-yl]-1-cyclopentyl-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 136949896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).