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

C24H31N5O3 — CID 146068653

IUPAC(3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCCCNC(=O)N1C[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)CC[C@]2(c2nnc(C)o2)C1
InChIInChI=1S/C24H31N5O3/c1-3-12-25-22(31)29-15-19-14-28(13-11-24(19,16-29)20-27-26-17(2)32-20)21(30)23(9-10-23)18-7-5-4-6-8-18/h4-8,19H,3,9-16H2,1-2H3,(H,25,31)/t19-,24-/m0/s1
InChIKeyBBARDTRKTDPZFO-CYFREDJKSA-N
MW437.54 g/mol
LogP2.63
Rot. Bonds5

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

(3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 146068653) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID146068653
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name(3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCCCNC(=O)N1C[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)CC[C@]2(c2nnc(C)o2)C1
InChIInChI=1S/C24H31N5O3/c1-3-12-25-22(31)29-15-19-14-28(13-11-24(19,16-29)20-27-26-17(2)32-20)21(30)23(9-10-23)18-7-5-4-6-8-18/h4-8,19H,3,9-16H2,1-2H3,(H,25,31)/t19-,24-/m0/s1
InChIKeyBBARDTRKTDPZFO-CYFREDJKSA-N
XLogP2.63
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3aS,7aR)-5-(furan-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 146068664
(3aS,7aR)-5-(2,5-dimethylfuran-3-carbonyl)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 146068666
(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-[(3aR,5R,6aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(1-phenylcyclopropanecarbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]ethanesulfonamide
CID 146073198
[2-benzyl-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridin-5-yl]-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]methanone
CID 171150116
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
4-morpholin-4-yl-4-phenyl-N-propylpiperidine-1-carboxamide
CID 110637882
ethyl N-[(3S)-1-(1-phenylcyclopropanecarbonyl)piperidin-3-yl]carbamate
CID 94825031
(3aR,6aR)-5-(1-methyl-4-phenylpiperidine-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138809949
(4-amino-3-ethylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 81457070
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110259293
4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide
CID 110396060

Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 146068653) is (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide is CCCNC(=O)N1C[C@@H]2CN(C(=O)C3(c4ccccc4)CC3)CC[C@]2(c2nnc(C)o2)C1.
What is the InChIKey of (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is BBARDTRKTDPZFO-CYFREDJKSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-3-12-25-22(31)29-15-19-14-28(13-11-24(19,16-29)20-27-26-17(2)32-20)21(30)23(9-10-23)18-7-5-4-6-8-18/h4-8,19H,3,9-16H2,1-2H3,(H,25,31)/t19-,24-/m0/s1.
What are the key properties of (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide?
(3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-7a-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(1-phenylcyclopropanecarbonyl)-N-propyl-1,3,3a,4,6,7-hexahydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 146068653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).