1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one

C20H24N6O2 — CID 126425604

IUPAC1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCc1cc(C)n([C@@H]2CCN(C(=O)CCCc3nc(-c4cccnc4)no3)C2)n1
InChIInChI=1S/C20H24N6O2/c1-14-11-15(2)26(23-14)17-8-10-25(13-17)19(27)7-3-6-18-22-20(24-28-18)16-5-4-9-21-12-16/h4-5,9,11-12,17H,3,6-8,10,13H2,1-2H3/t17-/m1/s1
InChIKeyFAYJPDDHMPUUDK-QGZVFWFLSA-N
MW380.45 g/mol
LogP2.74
Rot. Bonds6

About 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one

1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one (PubChem CID 126425604) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
PubChem CID126425604
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
SMILESCc1cc(C)n([C@@H]2CCN(C(=O)CCCc3nc(-c4cccnc4)no3)C2)n1
InChIInChI=1S/C20H24N6O2/c1-14-11-15(2)26(23-14)17-8-10-25(13-17)19(27)7-3-6-18-22-20(24-28-18)16-5-4-9-21-12-16/h4-5,9,11-12,17H,3,6-8,10,13H2,1-2H3/t17-/m1/s1
InChIKeyFAYJPDDHMPUUDK-QGZVFWFLSA-N
XLogP2.74
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one with MolForge

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Related Compounds

1-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70723994
1-[3-(diethylamino)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 118781507
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]butan-1-one
CID 90647780
1-[(3S)-3-benzylpiperidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 92574520
(9aR)-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one
CID 125170224
1-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 126442291
1-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 70729423
8a-ethyl-7-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146045404
4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]butan-1-one
CID 126442115
(5R)-7-methyl-2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97130751
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95606708
1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55623292

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The IUPAC name of 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one (CID 126425604) is 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The canonical SMILES for 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one is Cc1cc(C)n([C@@H]2CCN(C(=O)CCCc3nc(-c4cccnc4)no3)C2)n1.
What is the InChIKey of 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
The InChIKey is FAYJPDDHMPUUDK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-11-15(2)26(23-14)17-8-10-25(13-17)19(27)7-3-6-18-22-20(24-28-18)16-5-4-9-21-12-16/h4-5,9,11-12,17H,3,6-8,10,13H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one?
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one has a molecular weight of 380.45 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butan-1-one is sourced from PubChem (CID 126425604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).