2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one

C17H17F2N7O — CID 171997643

IUPAC2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
SMILESO=c1cc(N2CCN(c3ncnc4ncccc34)CC2)cnn1CC(F)F
InChIInChI=1S/C17H17F2N7O/c18-14(19)10-26-15(27)8-12(9-23-26)24-4-6-25(7-5-24)17-13-2-1-3-20-16(13)21-11-22-17/h1-3,8-9,11,14H,4-7,10H2
InChIKeyJAUJAPSERLMKOW-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.17
Rot. Bonds4

About 2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one

2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one (PubChem CID 171997643) has the molecular formula C17H17F2N7O and a molecular weight of 373.37 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
PubChem CID171997643
Molecular FormulaC17H17F2N7O
Molecular Weight373.37 g/mol
Exact Mass373.15
IUPAC Name2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
SMILESO=c1cc(N2CCN(c3ncnc4ncccc34)CC2)cnn1CC(F)F
InChIInChI=1S/C17H17F2N7O/c18-14(19)10-26-15(27)8-12(9-23-26)24-4-6-25(7-5-24)17-13-2-1-3-20-16(13)21-11-22-17/h1-3,8-9,11,14H,4-7,10H2
InChIKeyJAUJAPSERLMKOW-UHFFFAOYSA-N
XLogP1.17
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,2-difluoroethyl)-5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
CID 171996099
4-[4-[6-(difluoromethyl)-2-methylpyrimidin-4-yl]piperazin-1-yl]pyrido[2,3-d]pyrimidine
CID 154882855
2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 172881002
6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126941964
6-methyl-2-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 126864247
N,N-dimethyl-6-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-amine
CID 163346447
2-[(2-chloro-3-pyridinyl)methyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114395520
2-(2,2-difluoroethyl)-5-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one
CID 172881625
tert-butyl N-[2-oxo-2-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethyl]carbamate
CID 174664106
2-methyl-5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
CID 171995839
6-tert-butyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944686
2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396351

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one (CID 171997643) is 2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one is O=c1cc(N2CCN(c3ncnc4ncccc34)CC2)cnn1CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
The InChIKey is JAUJAPSERLMKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7O/c18-14(19)10-26-15(27)8-12(9-23-26)24-4-6-25(7-5-24)17-13-2-1-3-20-16(13)21-11-22-17/h1-3,8-9,11,14H,4-7,10H2.
What are the key properties of 2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one?
2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one has a molecular weight of 373.37 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one is sourced from PubChem (CID 171997643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).