2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one

C22H23ClN6O2 — CID 53081900

IUPAC2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C22H23ClN6O2/c23-15-5-7-16(8-6-15)29-20(30)10-9-19(26-29)27-11-13-28(14-12-27)22(31)21-17-3-1-2-4-18(17)24-25-21/h5-10H,1-4,11-14H2,(H,24,25)
InChIKeyUTTUQUWWJOWTOL-UHFFFAOYSA-N
MW438.92 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one

2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one (PubChem CID 53081900) has the molecular formula C22H23ClN6O2 and a molecular weight of 438.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one
PubChem CID53081900
Molecular FormulaC22H23ClN6O2
Molecular Weight438.92 g/mol
Exact Mass438.16
IUPAC Name2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one
SMILESO=C(c1n[nH]c2c1CCCC2)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1
InChIInChI=1S/C22H23ClN6O2/c23-15-5-7-16(8-6-15)29-20(30)10-9-19(26-29)27-11-13-28(14-12-27)22(31)21-17-3-1-2-4-18(17)24-25-21/h5-10H,1-4,11-14H2,(H,24,25)
InChIKeyUTTUQUWWJOWTOL-UHFFFAOYSA-N
XLogP2.45
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 46921350
6-[4-(3-bromobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)pyridazin-3-one
CID 53081896
[4-[1-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-yl)methanone
CID 166221598
2-(4-chlorophenyl)-6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]pyridazin-3-one
CID 53081894
2-(4-chlorophenyl)-6-[4-(3-methylbutanoyl)piperazin-1-yl]pyridazin-3-one
CID 53081890
6-(4-benzoylpiperazin-1-yl)-2-(4-fluorophenyl)pyridazin-3-one
CID 53081727
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
6-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081736
6-(4-benzoyl-1,4-diazepan-1-yl)-2-phenylpyridazin-3-one
CID 53081404
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 94936140
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 110388861

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one (CID 53081900) is 2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one is O=C(c1n[nH]c2c1CCCC2)N1CCN(c2ccc(=O)n(-c3ccc(Cl)cc3)n2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is UTTUQUWWJOWTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O2/c23-15-5-7-16(8-6-15)29-20(30)10-9-19(26-29)27-11-13-28(14-12-27)22(31)21-17-3-1-2-4-18(17)24-25-21/h5-10H,1-4,11-14H2,(H,24,25).
What are the key properties of 2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one?
2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 438.92 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[4-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 53081900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).