7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one

C24H23ClN6O3 — CID 59054424

IUPAC7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCOc1cc(N2CCNCC2)ccc1Nc1nc(Oc2ccccc2Cl)cc2cn[nH]c(=O)c12
InChIInChI=1S/C24H23ClN6O3/c1-33-20-13-16(31-10-8-26-9-11-31)6-7-18(20)28-23-22-15(14-27-30-24(22)32)12-21(29-23)34-19-5-3-2-4-17(19)25/h2-7,12-14,26H,8-11H2,1H3,(H,28,29)(H,30,32)
InChIKeyXCJHTKNWJZTPQC-UHFFFAOYSA-N
MW478.94 g/mol
LogP3.93
Rot. Bonds6

About 7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one

7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one (PubChem CID 59054424) has the molecular formula C24H23ClN6O3 and a molecular weight of 478.94 g/mol. Its IUPAC name is 7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one.

Molecular Properties

Compound Name7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
PubChem CID59054424
Molecular FormulaC24H23ClN6O3
Molecular Weight478.94 g/mol
Exact Mass478.15
IUPAC Name7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
SMILESCOc1cc(N2CCNCC2)ccc1Nc1nc(Oc2ccccc2Cl)cc2cn[nH]c(=O)c12
InChIInChI=1S/C24H23ClN6O3/c1-33-20-13-16(31-10-8-26-9-11-31)6-7-18(20)28-23-22-15(14-27-30-24(22)32)12-21(29-23)34-19-5-3-2-4-17(19)25/h2-7,12-14,26H,8-11H2,1H3,(H,28,29)(H,30,32)
InChIKeyXCJHTKNWJZTPQC-UHFFFAOYSA-N
XLogP3.93
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one with MolForge

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Related Compounds

7-(2,3-dichlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 59054009
7-(2-chloro-6-fluoroanilino)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 59053641
7-(2,3-dichloro-4-fluoroanilino)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 59053450
7-chloro-5-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3H-pyrido[3,4-d]pyridazin-4-one
CID 90187849
2-[(2,6-dichlorophenyl)methyl]-4-(2-methoxy-4-piperazin-1-ylanilino)-6H-pyrido[2,3-d]pyridazin-5-one
CID 59053891
5-(2-chloro-4-piperazin-1-ylanilino)-7-[(2,6-dichlorophenyl)methyl]-3H-pyrido[3,4-d]pyridazin-4-one
CID 59054360
5-chloro-4-N-[2-[2-[[5-chloro-2-(2-methoxy-4-piperazin-1-ylanilino)pyrimidin-4-yl]amino]phenoxy]phenyl]-2-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 155142747
7-chloro-5-(2-methoxyanilino)-3H-pyrido[3,4-d]pyridazin-4-one
CID 88756925
5-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methoxyanilino]-7-chloro-3H-pyrido[3,4-d]pyridazin-4-one
CID 88757197
5-chloro-4-N-(2-dimethylphosphanyloxyphenyl)-2-N-(2-methoxy-4-piperazin-1-ylphenyl)pyrimidine-2,4-diamine
CID 175543402
N-[2-[[5-chloro-2-(2-methoxy-4-piperazin-1-ylanilino)pyrimidin-4-yl]amino]-6-methoxyphenyl]methanesulfonamide
CID 165394559
tert-butyl 4-[4-[[7-[(2,6-dichlorophenyl)methyl]-4-oxo-3H-pyrido[3,4-d]pyridazin-5-yl]amino]-3-(trifluoromethoxy)phenyl]piperazine-1-carboxylate
CID 90187468

Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one?
The IUPAC name of 7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one (CID 59054424) is 7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one.
What is the SMILES notation for 7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one?
The canonical SMILES for 7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one is COc1cc(N2CCNCC2)ccc1Nc1nc(Oc2ccccc2Cl)cc2cn[nH]c(=O)c12.
What is the InChIKey of 7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one?
The InChIKey is XCJHTKNWJZTPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O3/c1-33-20-13-16(31-10-8-26-9-11-31)6-7-18(20)28-23-22-15(14-27-30-24(22)32)12-21(29-23)34-19-5-3-2-4-17(19)25/h2-7,12-14,26H,8-11H2,1H3,(H,28,29)(H,30,32).
What are the key properties of 7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one?
7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one has a molecular weight of 478.94 g/mol, XLogP of 3.93, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenoxy)-5-(2-methoxy-4-piperazin-1-ylanilino)-3H-pyrido[3,4-d]pyridazin-4-one is sourced from PubChem (CID 59054424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).