(3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide

C15H23N5O2 — CID 155954540

IUPAC(3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCc1noc([C@]23CCN(C)C[C@H]2CN(C(=O)NC2CC2)C3)n1
InChIInChI=1S/C15H23N5O2/c1-10-16-13(22-18-10)15-5-6-19(2)7-11(15)8-20(9-15)14(21)17-12-3-4-12/h11-12H,3-9H2,1-2H3,(H,17,21)/t11-,15-/m0/s1
InChIKeyJVKUPRKRPSHJFM-NHYWBVRUSA-N
MW305.38 g/mol
LogP0.76
Rot. Bonds2

About (3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide

(3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 155954540) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID155954540
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCc1noc([C@]23CCN(C)C[C@H]2CN(C(=O)NC2CC2)C3)n1
InChIInChI=1S/C15H23N5O2/c1-10-16-13(22-18-10)15-5-6-19(2)7-11(15)8-20(9-15)14(21)17-12-3-4-12/h11-12H,3-9H2,1-2H3,(H,17,21)/t11-,15-/m0/s1
InChIKeyJVKUPRKRPSHJFM-NHYWBVRUSA-N
XLogP0.76
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide 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-[(3aS,7aR)-5-methyl-2-(oxetan-3-ylmethyl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-7a-yl]-3-methyl-1,2,4-oxadiazole
CID 155958960
(3aS,6aR)-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122005749
[(3aR,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 97422280
tert-butyl (1R,5R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 86699315
tert-butyl (6R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 130346995
cyclopropyl-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 156610719
N-[(3aR,5R,6aR)-2-(3-cyclopentylpropanoyl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
CID 146073034
(4S)-4-[(3aS,6aS)-3a-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl]-1-methylpyrrolidin-2-one
CID 129325536
(3aR,7aR)-2-benzyl-N-cyclohexyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-5-carboxamide
CID 146068625
N-[3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-1-methylpyrazole-3-carboxamide
CID 171142753
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
N-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(2-methylpropanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-2-pyridin-4-ylacetamide
CID 146073160

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of (3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 155954540) is (3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for (3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for (3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide is Cc1noc([C@]23CCN(C)C[C@H]2CN(C(=O)NC2CC2)C3)n1.
What is the InChIKey of (3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is JVKUPRKRPSHJFM-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-10-16-13(22-18-10)15-5-6-19(2)7-11(15)8-20(9-15)14(21)17-12-3-4-12/h11-12H,3-9H2,1-2H3,(H,17,21)/t11-,15-/m0/s1.
What are the key properties of (3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
(3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-N-cyclopropyl-5-methyl-7a-(3-methyl-1,2,4-oxadiazol-5-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 155954540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).