5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

C21H25N5O2 — CID 170960928

IUPAC5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cnn2c1C(=O)N(CCN1CCC(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C21H25N5O2/c1-15-14-22-26-13-12-25(21(27)20(15)26)11-10-24-8-6-16(7-9-24)19-17-4-2-3-5-18(17)28-23-19/h2-5,14,16H,6-13H2,1H3
InChIKeyLFDLZVWEWNEDSE-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.67
Rot. Bonds4

About 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one

5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 170960928) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
PubChem CID170960928
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESCc1cnn2c1C(=O)N(CCN1CCC(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C21H25N5O2/c1-15-14-22-26-13-12-25(21(27)20(15)26)11-10-24-8-6-16(7-9-24)19-17-4-2-3-5-18(17)28-23-19/h2-5,14,16H,6-13H2,1H3
InChIKeyLFDLZVWEWNEDSE-UHFFFAOYSA-N
XLogP2.67
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-[1,3]oxazolo[5,4-c]azepin-4-one
CID 146641535
5'-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2',3'-dimethylspiro[1,3-dioxolane-2,6'-7H-pyrazolo[1,5-a]pyrazine]-4,4',5-trione
CID 170960902
2-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 170960894
3-[[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]pentane-2,4-dione
CID 20707055
3-(1-benzylpiperidin-4-yl)-1,2-benzoxazole;ethane
CID 91553600
4-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-2,2-dimethylbutanoic acid
CID 15941056
6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]imidazo[1,2-c]pyrimidin-5-one
CID 170960956
(E)-but-2-enedioic acid;3-[1-(2-phenylethyl)piperidin-4-yl]-1,2-benzoxazole
CID 174292430
3-[1-(3-pyrimidin-2-yloxypropyl)piperidin-4-yl]-1,2-benzoxazole
CID 142644427
2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]-N,N-diethylethanamine;bis(but-2-enedioic acid)
CID 70410215
3-(1-prop-2-enylpiperidin-4-yl)-1,2-benzoxazole;hydrochloride
CID 13076451
6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 14372045

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 170960928) is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is Cc1cnn2c1C(=O)N(CCN1CCC(c3noc4ccccc34)CC1)CC2.
What is the InChIKey of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is LFDLZVWEWNEDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-14-22-26-13-12-25(21(27)20(15)26)11-10-24-8-6-16(7-9-24)19-17-4-2-3-5-18(17)28-23-19/h2-5,14,16H,6-13H2,1H3.
What are the key properties of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 379.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-3-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 170960928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).