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

C22H22ClN5O2 — CID 99744858

IUPAC[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H22ClN5O2/c23-17-6-4-16(5-7-17)20-14-28-18(15-30-20)13-19(25-28)22(29)27-11-9-26(10-12-27)21-3-1-2-8-24-21/h1-8,13,20H,9-12,14-15H2/t20-/m0/s1
InChIKeySMUKFOJWOYAHMS-FQEVSTJZSA-N
MW423.90 g/mol
LogP3.17
Rot. Bonds3

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

[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 99744858) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is [(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID99744858
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H22ClN5O2/c23-17-6-4-16(5-7-17)20-14-28-18(15-30-20)13-19(25-28)22(29)27-11-9-26(10-12-27)21-3-1-2-8-24-21/h1-8,13,20H,9-12,14-15H2/t20-/m0/s1
InChIKeySMUKFOJWOYAHMS-FQEVSTJZSA-N
XLogP3.17
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[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
[(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
[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
[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 125128968
[(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
[5-(4-chlorophenyl)-1-methylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110336253
[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
[(6R)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 125128148
[(6S)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 125128147
(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

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(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) is [(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1cc2n(n1)C[C@@H](c1ccc(Cl)cc1)OC2)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is SMUKFOJWOYAHMS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c23-17-6-4-16(5-7-17)20-14-28-18(15-30-20)13-19(25-28)22(29)27-11-9-26(10-12-27)21-3-1-2-8-24-21/h1-8,13,20H,9-12,14-15H2/t20-/m0/s1.
What are the key properties of [(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 423.90 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 99744858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).