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

C30H25N9O — CID 170672764

About 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-pyridin-4-yl-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-pyridin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 170672764) has the molecular formula C30H25N9O and a molecular weight of 527.59 g/mol. Its IUPAC name is 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-pyridin-4-yl-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-pyridin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
• PubChem CID: 170672764
• Molecular Formula: C30H25N9O
• Molecular Weight: 527.59 g/mol
• Exact Mass: 527.22
• IUPAC Name: 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-pyridin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
• SMILES: Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(ccnc4-c4ccncc4)C3=O)cccc12
• InChI: InChI=1S/C30H25N9O/c1-17-14-34-30(35-25-13-18(2)38(3)37-25)36-26(17)22-15-33-28-20(22)5-4-6-24(28)39-16-23-21(29(39)40)9-12-32-27(23)19-7-10-31-11-8-19/h4-15,33H,16H2,1-3H3,(H,34,35,36,37)
• InChIKey: PLFDBNGETRCNHW-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 117.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.59
LogP ≤ 5	5.34
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-pyridin-4-yl-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-pyridin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 170672764) is 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-pyridin-4-yl-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-pyridin-4-yl-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-pyridin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(ccnc4-c4ccncc4)C3=O)cccc12.

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

The InChIKey is PLFDBNGETRCNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N9O/c1-17-14-34-30(35-25-13-18(2)38(3)37-25)36-26(17)22-15-33-28-20(22)5-4-6-24(28)39-16-23-21(29(39)40)9-12-32-27(23)19-7-10-31-11-8-19/h4-15,33H,16H2,1-3H3,(H,34,35,36,37).

What are the key properties of 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-pyridin-4-yl-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-pyridin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 527.59 g/mol, XLogP of 5.34, 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-pyridin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 170672764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).