4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine

C29H20ClN5OS — CID 90113778

IUPAC4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine
SMILESCOc1ccc2nccc(Sc3ccc(Nc4nnc(-c5ccc(Cl)cc5)c5ccccc45)cc3)c2n1
InChIInChI=1S/C29H20ClN5OS/c1-36-26-15-14-24-28(33-26)25(16-17-31-24)37-21-12-10-20(11-13-21)32-29-23-5-3-2-4-22(23)27(34-35-29)18-6-8-19(30)9-7-18/h2-17H,1H3,(H,32,35)
InChIKeyJNKGZRRDEMTWMJ-UHFFFAOYSA-N
MW522.03 g/mol
LogP7.80
Rot. Bonds6

About 4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine

4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine (PubChem CID 90113778) has the molecular formula C29H20ClN5OS and a molecular weight of 522.03 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine
PubChem CID90113778
Molecular FormulaC29H20ClN5OS
Molecular Weight522.03 g/mol
Exact Mass521.11
IUPAC Name4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine
SMILESCOc1ccc2nccc(Sc3ccc(Nc4nnc(-c5ccc(Cl)cc5)c5ccccc45)cc3)c2n1
InChIInChI=1S/C29H20ClN5OS/c1-36-26-15-14-24-28(33-26)25(16-17-31-24)37-21-12-10-20(11-13-21)32-29-23-5-3-2-4-22(23)27(34-35-29)18-6-8-19(30)9-7-18/h2-17H,1H3,(H,32,35)
InChIKeyJNKGZRRDEMTWMJ-UHFFFAOYSA-N
XLogP7.80
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.03
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine with MolForge

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Related Compounds

4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 67318157
4-(6-methoxy-2-pyridinyl)-N-(4-quinolin-4-ylsulfanylphenyl)phthalazin-1-amine
CID 90114157
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625
4-[4-[(4-phenylphthalazin-1-yl)amino]phenyl]sulfanylquinoline-7-carbonitrile
CID 67317431
4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 90114060
4-[[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenyl]sulfanylmethyl]pyridine-2-carboxamide
CID 91180825
methyl 2-[4-[[4-(4-chlorophenyl)phthalazin-1-yl]amino]phenoxy]acetate
CID 5292441
1-N-(7-methoxy-1,5-naphthyridin-4-yl)-4-N-(4-phenylphthalazin-1-yl)benzene-1,4-diamine
CID 59427298
N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]-4-piperidin-1-ylphthalazin-1-amine
CID 90113834
N-[4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thieno[3,2-b]pyridin-7-yl]sulfanylphenyl]-4-phenylphthalazin-1-amine
CID 25094824
N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]-4-(2,2,2-trifluoroethoxy)phthalazin-1-amine
CID 90113863
4-(6-chloro-3-pyridinyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 25098487

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine (CID 90113778) is 4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine is COc1ccc2nccc(Sc3ccc(Nc4nnc(-c5ccc(Cl)cc5)c5ccccc45)cc3)c2n1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine?
The InChIKey is JNKGZRRDEMTWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20ClN5OS/c1-36-26-15-14-24-28(33-26)25(16-17-31-24)37-21-12-10-20(11-13-21)32-29-23-5-3-2-4-22(23)27(34-35-29)18-6-8-19(30)9-7-18/h2-17H,1H3,(H,32,35).
What are the key properties of 4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine?
4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine has a molecular weight of 522.03 g/mol, XLogP of 7.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)sulfanyl]phenyl]phthalazin-1-amine is sourced from PubChem (CID 90113778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).