[6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate

C27H34N8O3 — CID 167495198

About [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate

[6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate (PubChem CID 167495198) has the molecular formula C27H34N8O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate.

Molecular Properties

• Compound Name: [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
• PubChem CID: 167495198
• Molecular Formula: C27H34N8O3
• Molecular Weight: 518.62 g/mol
• Exact Mass: 518.28
• IUPAC Name: [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
• SMILES: CNC(=O)OCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nnc4n3C(C)(C)C(C)C4)n1)C2=O
• InChI: InChI=1S/C27H34N8O3/c1-15(2)33(7)22-12-17-18(20(30-22)14-38-26(37)28-6)13-34(25(17)36)21-10-8-9-19(29-21)24-32-31-23-11-16(3)27(4,5)35(23)24/h8-10,12,15-16H,11,13-14H2,1-7H3,(H,28,37)
• InChIKey: AUXUZGDGNYXBKZ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 118.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.62
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?

The IUPAC name of [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate (CID 167495198) is [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate.

What is the SMILES notation for [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?

The canonical SMILES for [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate is CNC(=O)OCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nnc4n3C(C)(C)C(C)C4)n1)C2=O.

What is the InChIKey of [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?

The InChIKey is AUXUZGDGNYXBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O3/c1-15(2)33(7)22-12-17-18(20(30-22)14-38-26(37)28-6)13-34(25(17)36)21-10-8-9-19(29-21)24-32-31-23-11-16(3)27(4,5)35(23)24/h8-10,12,15-16H,11,13-14H2,1-7H3,(H,28,37).

What are the key properties of [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate?

[6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate has a molecular weight of 518.62 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[methyl(propan-2-yl)amino]-1-oxo-2-[6-(5,5,6-trimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate is sourced from PubChem (CID 167495198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).