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

C25H28N10O3 — CID 167495261

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

[6-[methyl(propan-2-yl)amino]-2-[6-[4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate (PubChem CID 167495261) has the molecular formula C25H28N10O3 and a molecular weight of 516.57 g/mol. Its IUPAC name is [6-[methyl(propan-2-yl)amino]-2-[6-[4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate.

Molecular Properties

• Compound Name: [6-[methyl(propan-2-yl)amino]-2-[6-[4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
• PubChem CID: 167495261
• Molecular Formula: C25H28N10O3
• Molecular Weight: 516.57 g/mol
• Exact Mass: 516.23
• IUPAC Name: [6-[methyl(propan-2-yl)amino]-2-[6-[4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate
• SMILES: CNC(=O)OCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nncn3-c3cnn(C)c3)n1)C2=O
• InChI: InChI=1S/C25H28N10O3/c1-15(2)33(5)22-9-17-18(20(30-22)13-38-25(37)26-3)12-34(24(17)36)21-8-6-7-19(29-21)23-31-27-14-35(23)16-10-28-32(4)11-16/h6-11,14-15H,12-13H2,1-5H3,(H,26,37)
• InChIKey: OLYZIZCLKOBTSC-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 136.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.57
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of [6-[methyl(propan-2-yl)amino]-2-[6-[4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate (CID 167495261) is [6-[methyl(propan-2-yl)amino]-2-[6-[4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate.

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

The canonical SMILES for [6-[methyl(propan-2-yl)amino]-2-[6-[4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate is CNC(=O)OCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nncn3-c3cnn(C)c3)n1)C2=O.

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

The InChIKey is OLYZIZCLKOBTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N10O3/c1-15(2)33(5)22-9-17-18(20(30-22)13-38-25(37)26-3)12-34(24(17)36)21-8-6-7-19(29-21)23-31-27-14-35(23)16-10-28-32(4)11-16/h6-11,14-15H,12-13H2,1-5H3,(H,26,37).

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

[6-[methyl(propan-2-yl)amino]-2-[6-[4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate has a molecular weight of 516.57 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[methyl(propan-2-yl)amino]-2-[6-[4-(1-methylpyrazol-4-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-1-oxo-3H-pyrrolo[3,4-c]pyridin-4-yl]methyl N-methylcarbamate is sourced from PubChem (CID 167495261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).