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

C24H25ClN4O3 — CID 91889704

IUPAC[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)CC1
InChIInChI=1S/C24H25ClN4O3/c1-31-22-5-3-2-4-21(22)27-10-12-28(13-11-27)24(30)20-14-19-16-32-23(15-29(19)26-20)17-6-8-18(25)9-7-17/h2-9,14,23H,10-13,15-16H2,1H3
InChIKeyFUCPQZRRSQAYAJ-UHFFFAOYSA-N
MW452.94 g/mol
LogP3.78
Rot. Bonds4

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

[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 91889704) has the molecular formula C24H25ClN4O3 and a molecular weight of 452.94 g/mol. Its IUPAC name is [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID91889704
Molecular FormulaC24H25ClN4O3
Molecular Weight452.94 g/mol
Exact Mass452.16
IUPAC Name[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3n(n2)CC(c2ccc(Cl)cc2)OC3)CC1
InChIInChI=1S/C24H25ClN4O3/c1-31-22-5-3-2-4-21(22)27-10-12-28(13-11-27)24(30)20-14-19-16-32-23(15-29(19)26-20)17-6-8-18(25)9-7-17/h2-9,14,23H,10-13,15-16H2,1H3
InChIKeyFUCPQZRRSQAYAJ-UHFFFAOYSA-N
XLogP3.78
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.94
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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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-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]methanone (CID 91889704) is [6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(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-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is FUCPQZRRSQAYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O3/c1-31-22-5-3-2-4-21(22)27-10-12-28(13-11-27)24(30)20-14-19-16-32-23(15-29(19)26-20)17-6-8-18(25)9-7-17/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-methoxyphenyl)piperazin-1-yl]methanone?
[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 452.94 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91889704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).