5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

C14H15N5O — CID 118518801

IUPAC5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILES[H]/N=C(\C)CN1CCc2nn(-c3cccnc3)cc2C1=O
InChIInChI=1S/C14H15N5O/c1-10(15)8-18-6-4-13-12(14(18)20)9-19(17-13)11-3-2-5-16-7-11/h2-3,5,7,9,15H,4,6,8H2,1H3/b15-10+
InChIKeyKJUPEYJGOAVDQD-XNTDXEJSSA-N
MW269.31 g/mol
LogP1.31
Rot. Bonds3

About 5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one

5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (PubChem CID 118518801) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
PubChem CID118518801
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one
SMILES[H]/N=C(\C)CN1CCc2nn(-c3cccnc3)cc2C1=O
InChIInChI=1S/C14H15N5O/c1-10(15)8-18-6-4-13-12(14(18)20)9-19(17-13)11-3-2-5-16-7-11/h2-3,5,7,9,15H,4,6,8H2,1H3/b15-10+
InChIKeyKJUPEYJGOAVDQD-XNTDXEJSSA-N
XLogP1.31
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.31
H-Bond Donors ≤ 51
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 5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one (CID 118518801) is 5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is [H]/N=C(\C)CN1CCc2nn(-c3cccnc3)cc2C1=O.
What is the InChIKey of 5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
The InChIKey is KJUPEYJGOAVDQD-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10(15)8-18-6-4-13-12(14(18)20)9-19(17-13)11-3-2-5-16-7-11/h2-3,5,7,9,15H,4,6,8H2,1H3/b15-10+.
What are the key properties of 5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one?
5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one has a molecular weight of 269.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iminopropyl)-2-pyridin-3-yl-6,7-dihydropyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 118518801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).