[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

C24H25ClN4O2 — CID 91889711

IUPAC[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)CC1
InChIInChI=1S/C24H25ClN4O2/c1-17-4-2-3-5-22(17)27-10-12-28(13-11-27)24(30)21-14-20-16-31-23(15-29(20)26-21)18-6-8-19(25)9-7-18/h2-9,14,23H,10-13,15-16H2,1H3
InChIKeyGIMXIESIKUSMDK-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.08
Rot. Bonds3

About [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 91889711) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID91889711
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC Name[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)CC1
InChIInChI=1S/C24H25ClN4O2/c1-17-4-2-3-5-22(17)27-10-12-28(13-11-27)24(30)21-14-20-16-31-23(15-29(20)26-21)18-6-8-19(25)9-7-18/h2-9,14,23H,10-13,15-16H2,1H3
InChIKeyGIMXIESIKUSMDK-UHFFFAOYSA-N
XLogP4.08
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 99744862
[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 99744858
[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 91889706
[(6S)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 99744893
[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 99744894
(6S)-6-(4-chlorophenyl)-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99738797
(6S)-N-benzyl-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99744913
6-(4-chlorophenyl)-N-ethyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889794
6-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889818
6-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889816
(6R)-6-(4-chlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 99744958
[4-[6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 87053621

Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 91889711) is [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)CC1.
What is the InChIKey of [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is GIMXIESIKUSMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-17-4-2-3-5-22(17)27-10-12-28(13-11-27)24(30)21-14-20-16-31-23(15-29(20)26-21)18-6-8-19(25)9-7-18/h2-9,14,23H,10-13,15-16H2,1H3.
What are the key properties of [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 436.94 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91889711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).