(3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

C20H25N5O2 — CID 50974809

IUPAC(3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCc1cccn2c(CNC(=O)[C@@]34CNC[C@@H]3CN(C(=O)C3CC3)C4)cnc12
InChIInChI=1S/C20H25N5O2/c1-13-3-2-6-25-16(8-22-17(13)25)9-23-19(27)20-11-21-7-15(20)10-24(12-20)18(26)14-4-5-14/h2-3,6,8,14-15,21H,4-5,7,9-12H2,1H3,(H,23,27)/t15-,20-/m1/s1
InChIKeyQLPIMNHDXZNABT-FOIQADDNSA-N
MW367.45 g/mol
LogP0.72
Rot. Bonds4

About (3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide

(3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (PubChem CID 50974809) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
PubChem CID50974809
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
SMILESCc1cccn2c(CNC(=O)[C@@]34CNC[C@@H]3CN(C(=O)C3CC3)C4)cnc12
InChIInChI=1S/C20H25N5O2/c1-13-3-2-6-25-16(8-22-17(13)25)9-23-19(27)20-11-21-7-15(20)10-24(12-20)18(26)14-4-5-14/h2-3,6,8,14-15,21H,4-5,7,9-12H2,1H3,(H,23,27)/t15-,20-/m1/s1
InChIKeyQLPIMNHDXZNABT-FOIQADDNSA-N
XLogP0.72
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 122565100
(3aS,6aS)-5-(cyclopropanecarbonyl)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 133116268
(3S)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-piperidin-1-ylpyrrolidine-1-carboxamide
CID 125442546
(3aS,6aS)-5-(cyclopropanecarbonyl)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 133114913
(2R)-2-(hydroxymethyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 125438910
(3R)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 95127546
(3aS,6aS)-5-acetyl-N-(3-pyridin-3-yloxypropyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide
CID 133120548
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 91782592
4-(3-hydroxy-3-methylbutyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
CID 70785195
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[(1R)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126588
N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-N'-(4-methylphenyl)propanediamide
CID 56738129
(4-fluorophenyl)-[1-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]azetidin-3-yl]methanone
CID 166361524

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The IUPAC name of (3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide (CID 50974809) is (3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide.
What is the SMILES notation for (3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The canonical SMILES for (3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is Cc1cccn2c(CNC(=O)[C@@]34CNC[C@@H]3CN(C(=O)C3CC3)C4)cnc12.
What is the InChIKey of (3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
The InChIKey is QLPIMNHDXZNABT-FOIQADDNSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-3-2-6-25-16(8-22-17(13)25)9-23-19(27)20-11-21-7-15(20)10-24(12-20)18(26)14-4-5-14/h2-3,6,8,14-15,21H,4-5,7,9-12H2,1H3,(H,23,27)/t15-,20-/m1/s1.
What are the key properties of (3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide?
(3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-5-(cyclopropanecarbonyl)-N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-3a-carboxamide is sourced from PubChem (CID 50974809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).