6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one

C17H19N7O — CID 167988818

IUPAC6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCN(c1ccc2nc[nH]c(=O)c2n1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C17H19N7O/c1-23(14-7-6-13-16(21-14)17(25)19-11-18-13)12-4-3-9-24(10-12)15-5-2-8-20-22-15/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,18,19,25)
InChIKeyZTYGCZPEZVRLKT-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.21
Rot. Bonds3

About 6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one

6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one (PubChem CID 167988818) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one
PubChem CID167988818
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one
SMILESCN(c1ccc2nc[nH]c(=O)c2n1)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C17H19N7O/c1-23(14-7-6-13-16(21-14)17(25)19-11-18-13)12-4-3-9-24(10-12)15-5-2-8-20-22-15/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,18,19,25)
InChIKeyZTYGCZPEZVRLKT-UHFFFAOYSA-N
XLogP1.21
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one (CID 167988818) is 6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one is CN(c1ccc2nc[nH]c(=O)c2n1)C1CCCN(c2cccnn2)C1.
What is the InChIKey of 6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ZTYGCZPEZVRLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-23(14-7-6-13-16(21-14)17(25)19-11-18-13)12-4-3-9-24(10-12)15-5-2-8-20-22-15/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,18,19,25).
What are the key properties of 6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one?
6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 337.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 167988818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).