2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one

C31H27N9O — CID 170673207

About 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one

2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 170673207) has the molecular formula C31H27N9O and a molecular weight of 541.62 g/mol. Its IUPAC name is 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

• Compound Name: 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 170673207
• Molecular Formula: C31H27N9O
• Molecular Weight: 541.62 g/mol
• Exact Mass: 541.23
• IUPAC Name: 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: Cc1cc(-c2nccc3c2CN(c2cccc4c(-c5nc(Nc6cc(C)n(C)n6)ncc5C)c[nH]c24)C3=O)ccn1
• InChI: InChI=1S/C31H27N9O/c1-17-14-35-31(36-26-13-19(3)39(4)38-26)37-27(17)23-15-34-29-21(23)6-5-7-25(29)40-16-24-22(30(40)41)9-11-33-28(24)20-8-10-32-18(2)12-20/h5-15,34H,16H2,1-4H3,(H,35,36,37,38)
• InChIKey: QWFYYXIYIQOMOB-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 117.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.62
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one?

The IUPAC name of 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 170673207) is 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

What is the SMILES notation for 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one?

The canonical SMILES for 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1cc(-c2nccc3c2CN(c2cccc4c(-c5nc(Nc6cc(C)n(C)n6)ncc5C)c[nH]c24)C3=O)ccn1.

What is the InChIKey of 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one?

The InChIKey is QWFYYXIYIQOMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N9O/c1-17-14-35-31(36-26-13-19(3)39(4)38-26)37-27(17)23-15-34-29-21(23)6-5-7-25(29)40-16-24-22(30(40)41)9-11-33-28(24)20-8-10-32-18(2)12-20/h5-15,34H,16H2,1-4H3,(H,35,36,37,38).

What are the key properties of 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one?

2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 541.62 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(2-methyl-4-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 170673207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).