[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

C18H23N7O2 — CID 127459945

IUPAC[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCC(C)c1nc(CN(C)C2CCN(C(=O)c3ccc4nncn4c3)C2)no1
InChIInChI=1S/C18H23N7O2/c1-12(2)17-20-15(22-27-17)10-23(3)14-6-7-24(9-14)18(26)13-4-5-16-21-19-11-25(16)8-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyXXBRKHSYVXLGEA-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.58
Rot. Bonds5

About [3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone

[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (PubChem CID 127459945) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is [3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
PubChem CID127459945
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
SMILESCC(C)c1nc(CN(C)C2CCN(C(=O)c3ccc4nncn4c3)C2)no1
InChIInChI=1S/C18H23N7O2/c1-12(2)17-20-15(22-27-17)10-23(3)14-6-7-24(9-14)18(26)13-4-5-16-21-19-11-25(16)8-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3
InChIKeyXXBRKHSYVXLGEA-UHFFFAOYSA-N
XLogP1.58
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone with MolForge

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Related Compounds

2,3-dihydro-1,4-dioxin-5-yl-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone
CID 124888820
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone
CID 124888877
[(3S)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 124736499
3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-N-(1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 127459377
2-amino-1-[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-2-(oxan-4-yl)ethanone
CID 120801322
(4-amino-3,3-dimethylpiperidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 120816284
[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97018940
piperidin-1-yl([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 97211491
[3-[(4-aminopyrimidin-2-yl)methyl-methylamino]pyrrolidin-1-yl]-(6-propan-2-yl-3-pyridinyl)methanone
CID 154799862
(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 96512179
(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 71871964
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119912855

Frequently Asked Questions

What is the IUPAC name of [3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The IUPAC name of [3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone (CID 127459945) is [3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone.
What is the SMILES notation for [3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The canonical SMILES for [3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is CC(C)c1nc(CN(C)C2CCN(C(=O)c3ccc4nncn4c3)C2)no1.
What is the InChIKey of [3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
The InChIKey is XXBRKHSYVXLGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-12(2)17-20-15(22-27-17)10-23(3)14-6-7-24(9-14)18(26)13-4-5-16-21-19-11-25(16)8-13/h4-5,8,11-12,14H,6-7,9-10H2,1-3H3.
What are the key properties of [3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone?
[3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone has a molecular weight of 369.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-([1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone is sourced from PubChem (CID 127459945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).