2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one

C18H21N7O — CID 126913536

IUPAC2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1nc(N2CCN(CCn3ncccc3=O)CC2)c2ccncc2n1
InChIInChI=1S/C18H21N7O/c1-14-21-16-13-19-6-4-15(16)18(22-14)24-10-7-23(8-11-24)9-12-25-17(26)3-2-5-20-25/h2-6,13H,7-12H2,1H3
InChIKeyNYKMADPLFNSZEX-UHFFFAOYSA-N
MW351.41 g/mol
LogP0.71
Rot. Bonds4

About 2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126913536) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126913536
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1nc(N2CCN(CCn3ncccc3=O)CC2)c2ccncc2n1
InChIInChI=1S/C18H21N7O/c1-14-21-16-13-19-6-4-15(16)18(22-14)24-10-7-23(8-11-24)9-12-25-17(26)3-2-5-20-25/h2-6,13H,7-12H2,1H3
InChIKeyNYKMADPLFNSZEX-UHFFFAOYSA-N
XLogP0.71
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916583
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 165433565
2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913484
6-tert-butyl-2-[2-(4-pyrido[3,4-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126914326
2-[2-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913367
2-methyl-4-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 155976620
3-cyclopropyl-1-[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 154853548
6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928071
N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976450
2-[2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913420
4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 155981287
2-[2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913470

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126913536) is 2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1nc(N2CCN(CCn3ncccc3=O)CC2)c2ccncc2n1.
What is the InChIKey of 2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is NYKMADPLFNSZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-14-21-16-13-19-6-4-15(16)18(22-14)24-10-7-23(8-11-24)9-12-25-17(26)3-2-5-20-25/h2-6,13H,7-12H2,1H3.
What are the key properties of 2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 351.41 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126913536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).