(3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one

C17H20N4O2 — CID 155501840

IUPAC(3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESCc1c(C(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)nc2ccccn12
InChIInChI=1S/C17H20N4O2/c1-11-15(18-14-5-3-4-7-21(11)14)17(23)20-9-12-6-8-19(2)16(22)13(12)10-20/h3-5,7,12-13H,6,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyBDFGXFKKRALQAD-OLZOCXBDSA-N
MW312.37 g/mol
LogP1.19
Rot. Bonds1

About (3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one

(3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (PubChem CID 155501840) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.

Molecular Properties

Compound Name(3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
PubChem CID155501840
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
SMILESCc1c(C(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)nc2ccccn12
InChIInChI=1S/C17H20N4O2/c1-11-15(18-14-5-3-4-7-21(11)14)17(23)20-9-12-6-8-19(2)16(22)13(12)10-20/h3-5,7,12-13H,6,8-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyBDFGXFKKRALQAD-OLZOCXBDSA-N
XLogP1.19
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The IUPAC name of (3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one (CID 155501840) is (3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one.
What is the SMILES notation for (3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The canonical SMILES for (3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is Cc1c(C(=O)N2C[C@H]3CCN(C)C(=O)[C@H]3C2)nc2ccccn12.
What is the InChIKey of (3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
The InChIKey is BDFGXFKKRALQAD-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11-15(18-14-5-3-4-7-21(11)14)17(23)20-9-12-6-8-19(2)16(22)13(12)10-20/h3-5,7,12-13H,6,8-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one?
(3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one has a molecular weight of 312.37 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aS)-5-methyl-2-(3-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one is sourced from PubChem (CID 155501840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).