5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole

C17H23N5O — CID 124823156

IUPAC5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2ccc(N3CCN4CCC[C@H]4C3)nc2)n1
InChIInChI=1S/C17H23N5O/c1-12(2)16-19-17(23-20-16)13-5-6-15(18-10-13)22-9-8-21-7-3-4-14(21)11-22/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3/t14-/m0/s1
InChIKeyKTTCSAMJMIBZRB-AWEZNQCLSA-N
MW313.41 g/mol
LogP2.54
Rot. Bonds3

About 5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 124823156) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID124823156
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(-c2ccc(N3CCN4CCC[C@H]4C3)nc2)n1
InChIInChI=1S/C17H23N5O/c1-12(2)16-19-17(23-20-16)13-5-6-15(18-10-13)22-9-8-21-7-3-4-14(21)11-22/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3/t14-/m0/s1
InChIKeyKTTCSAMJMIBZRB-AWEZNQCLSA-N
XLogP2.54
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 45249597
1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-5-one
CID 45182259
2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79035612
[(3S)-3-methylpiperidin-1-yl]-[5-methyl-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrazol-4-yl]methanone
CID 95104525
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-amine
CID 56769872
3-propan-2-yl-5-[2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-1,2,4-oxadiazole
CID 133448829
5-[2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133320315
3-methyl-5-[6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 70751985
1-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-amine
CID 56769926
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
3-propan-2-yl-4-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazin-2-one
CID 45200939
3-(2-methoxyethyl)-5-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 70755273

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 124823156) is 5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(-c2ccc(N3CCN4CCC[C@H]4C3)nc2)n1.
What is the InChIKey of 5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is KTTCSAMJMIBZRB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12(2)16-19-17(23-20-16)13-5-6-15(18-10-13)22-9-8-21-7-3-4-14(21)11-22/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 313.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 124823156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).