6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C23H31N5O3 — CID 91811547

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C3CCN(C(=O)c4cnn5c4OCCC5)CC3)CC2)c1
InChIInChI=1S/C23H31N5O3/c1-30-20-5-2-4-19(16-20)26-13-11-25(12-14-26)18-6-9-27(10-7-18)22(29)21-17-24-28-8-3-15-31-23(21)28/h2,4-5,16-18H,3,6-15H2,1H3
InChIKeyNEFALRCMBASEBN-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.10
Rot. Bonds4

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 91811547) has the molecular formula C23H31N5O3 and a molecular weight of 425.53 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID91811547
Molecular FormulaC23H31N5O3
Molecular Weight425.53 g/mol
Exact Mass425.24
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C3CCN(C(=O)c4cnn5c4OCCC5)CC3)CC2)c1
InChIInChI=1S/C23H31N5O3/c1-30-20-5-2-4-19(16-20)26-13-11-25(12-14-26)18-6-9-27(10-7-18)22(29)21-17-24-28-8-3-15-31-23(21)28/h2,4-5,16-18H,3,6-15H2,1H3
InChIKeyNEFALRCMBASEBN-UHFFFAOYSA-N
XLogP2.10
TPSA63.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 91811549
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100633287
[4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
CID 71789428
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carbonyl)azetidine-3-carboxylate
CID 71789514
(4-cyclopentylpiperazin-1-yl)-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 55911978
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-(3-methylpiperidin-1-yl)methanone
CID 90537019
1-[1-(3-methoxyphenyl)piperidin-4-yl]-4-methylpiperazine
CID 123493648
(3-methoxyphenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868482
[4-(3-methoxyphenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119829383
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 91811547) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is COc1cccc(N2CCN(C3CCN(C(=O)c4cnn5c4OCCC5)CC3)CC2)c1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is NEFALRCMBASEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3/c1-30-20-5-2-4-19(16-20)26-13-11-25(12-14-26)18-6-9-27(10-7-18)22(29)21-17-24-28-8-3-15-31-23(21)28/h2,4-5,16-18H,3,6-15H2,1H3.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 425.53 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl-[4-[4-(3-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 91811547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).