1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one

C21H30N6O2 — CID 137439704

IUPAC1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2noc(N3CCc4nn(C5CCC5)cc4C3)n2)CC1
InChIInChI=1S/C21H30N6O2/c1-14(2)20(28)25-9-6-15(7-10-25)19-22-21(29-24-19)26-11-8-18-16(12-26)13-27(23-18)17-4-3-5-17/h13-15,17H,3-12H2,1-2H3
InChIKeyKVRBYFAKYWTDKV-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.92
Rot. Bonds4

About 1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one

1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 137439704) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID137439704
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCC(c2noc(N3CCc4nn(C5CCC5)cc4C3)n2)CC1
InChIInChI=1S/C21H30N6O2/c1-14(2)20(28)25-9-6-15(7-10-25)19-22-21(29-24-19)26-11-8-18-16(12-26)13-27(23-18)17-4-3-5-17/h13-15,17H,3-12H2,1-2H3
InChIKeyKVRBYFAKYWTDKV-UHFFFAOYSA-N
XLogP2.92
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[5-[2-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 137439268
methyl 4-[5-(1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
CID 155066846
2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 110876417
1-[4-[5-(2-fluoro-3-morpholin-4-ylphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 137439351
2-cyclopentyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 118469457
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120859549
2-methyl-1-[4-[5-[1-(oxetan-3-yl)pyrazolo[4,5-b]pyridin-6-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]propan-1-one
CID 137439694
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
1-[4-[5-[2-(3,3-difluoropyrrolidin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 137439369
(2S)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934036
(2R)-2-cyclopentyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-phenylethanone
CID 99934035
1-[3-[5-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]azetidin-1-yl]-2-methylpropan-1-one
CID 164635213

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 137439704) is 1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCC(c2noc(N3CCc4nn(C5CCC5)cc4C3)n2)CC1.
What is the InChIKey of 1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is KVRBYFAKYWTDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2/c1-14(2)20(28)25-9-6-15(7-10-25)19-22-21(29-24-19)26-11-8-18-16(12-26)13-27(23-18)17-4-3-5-17/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one?
1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 398.51 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(2-cyclobutyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 137439704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).