[(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone

C25H21ClFN5O — CID 25224709

IUPAC[(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(Cl)cc2F)c2cccnc12
InChIInChI=1S/C25H21ClFN5O/c1-16-15-31(25(33)17-6-3-2-4-7-17)12-13-32(16)24-23-20(8-5-11-28-23)22(29-30-24)19-10-9-18(26)14-21(19)27/h2-11,14,16H,12-13,15H2,1H3/t16-/m1/s1
InChIKeyHONCMIRIXOSIJG-MRXNPFEDSA-N
MW461.93 g/mol
LogP4.84
Rot. Bonds3

About [(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone

[(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone (PubChem CID 25224709) has the molecular formula C25H21ClFN5O and a molecular weight of 461.93 g/mol. Its IUPAC name is [(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone
PubChem CID25224709
Molecular FormulaC25H21ClFN5O
Molecular Weight461.93 g/mol
Exact Mass461.14
IUPAC Name[(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone
SMILESC[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(Cl)cc2F)c2cccnc12
InChIInChI=1S/C25H21ClFN5O/c1-16-15-31(25(33)17-6-3-2-4-7-17)12-13-32(16)24-23-20(8-5-11-28-23)22(29-30-24)19-10-9-18(26)14-21(19)27/h2-11,14,16H,12-13,15H2,1H3/t16-/m1/s1
InChIKeyHONCMIRIXOSIJG-MRXNPFEDSA-N
XLogP4.84
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.93
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone 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

[(3R)-3-methyl-4-(5-phenylpyrido[2,3-d]pyridazin-8-yl)piperazin-1-yl]-phenylmethanone
CID 25224531
[4-(8-chloropyrido[2,3-d]pyridazin-5-yl)-3-methylpiperazin-1-yl]-phenylmethanone
CID 76585158
benzoyl chloride;[(3R)-3-methyl-4-(5-phenylpyrido[2,3-d]pyridazin-8-yl)piperazin-1-yl]-phenylmethanone;8-[(2R)-2-methylpiperazin-1-yl]-5-phenylpyrido[2,3-d]pyridazine
CID 159683480
[(3R)-4-(5-chloropyrido[2,3-d]pyridazin-8-yl)-3-methylpiperazin-1-yl]-phenylmethanone;[4-(hydroxymethyl)phenyl]boronic acid;[(3R)-4-[5-[4-(hydroxymethyl)phenyl]pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone
CID 158521371
[4-[4-(4-fluorophenyl)phthalazin-1-yl]-3-methylpiperazin-1-yl]-phenylmethanone
CID 25153875
[4-(5-chloropyrido[2,3-d]pyridazin-8-yl)-3-methylpiperazin-1-yl]-cyclohexa-1,5-dien-1-ylmethanone;ethane
CID 143777508
[(3R)-3-methyl-4-[4-(4-methylphenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
CID 46891200
(3S)-N-(3-chloro-4-fluorophenyl)-3-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide;hydrochloride
CID 67345327
[(3R)-4-[1-[4-(hydroxymethyl)phenyl]pyrido[3,4-d]pyridazin-4-yl]-3-methylpiperazin-1-yl]-phenylmethanone
CID 25224529
[4-[4-(2-chlorophenyl)phthalazin-1-yl]piperazin-1-yl]-phenylmethanone
CID 46891105
2-(4-chlorophenyl)-1-[(3S)-3-methyl-4-(4-phenylphthalazin-1-yl)piperazin-1-yl]ethanone
CID 58378947
[(2S)-4-[4-(4-chlorophenyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]-phenylmethanone
CID 46891165

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone (CID 25224709) is [(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone is C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(Cl)cc2F)c2cccnc12.
What is the InChIKey of [(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
The InChIKey is HONCMIRIXOSIJG-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H21ClFN5O/c1-16-15-31(25(33)17-6-3-2-4-7-17)12-13-32(16)24-23-20(8-5-11-28-23)22(29-30-24)19-10-9-18(26)14-21(19)27/h2-11,14,16H,12-13,15H2,1H3/t16-/m1/s1.
What are the key properties of [(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone?
[(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone has a molecular weight of 461.93 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-[5-(4-chloro-2-fluorophenyl)pyrido[2,3-d]pyridazin-8-yl]-3-methylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 25224709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).