[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone

C23H26N6O2 — CID 86958799

IUPAC[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)c3nn(-c4ccccc4C)c4c3CCC4)CC2)n1
InChIInChI=1S/C23H26N6O2/c1-16-6-3-4-8-18(16)29-19-9-5-7-17(19)22(26-29)23(30)28-12-10-27(11-13-28)20-14-24-15-21(25-20)31-2/h3-4,6,8,14-15H,5,7,9-13H2,1-2H3
InChIKeyBKTGWVOTECPMRO-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.43
Rot. Bonds4

About [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone

[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (PubChem CID 86958799) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
PubChem CID86958799
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)c3nn(-c4ccccc4C)c4c3CCC4)CC2)n1
InChIInChI=1S/C23H26N6O2/c1-16-6-3-4-8-18(16)29-19-9-5-7-17(19)22(26-29)23(30)28-12-10-27(11-13-28)20-14-24-15-21(25-20)31-2/h3-4,6,8,14-15H,5,7,9-13H2,1-2H3
InChIKeyBKTGWVOTECPMRO-UHFFFAOYSA-N
XLogP2.43
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carbonitrile
CID 49061217
2,5-dihydropyrrol-1-yl-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 126827969
(3-hydroxyazetidin-1-yl)-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 71920014
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 55487253
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119486710
[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl)methanone
CID 55919334
furan-2-yl-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 171690760
[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958964
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 110389062
phenyl-[4-(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 46680389
5-methoxy-2-(2-methylphenyl)-6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-one
CID 40693658
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119596232

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The IUPAC name of [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (CID 86958799) is [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.
What is the SMILES notation for [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The canonical SMILES for [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is COc1cncc(N2CCN(C(=O)c3nn(-c4ccccc4C)c4c3CCC4)CC2)n1.
What is the InChIKey of [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The InChIKey is BKTGWVOTECPMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-16-6-3-4-8-18(16)29-19-9-5-7-17(19)22(26-29)23(30)28-12-10-27(11-13-28)20-14-24-15-21(25-20)31-2/h3-4,6,8,14-15H,5,7,9-13H2,1-2H3.
What are the key properties of [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone has a molecular weight of 418.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is sourced from PubChem (CID 86958799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).