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

C30H25N9O — CID 170673136

IUPAC2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(cncc4-c4ccncc4)C3=O)cccc12
InChIInChI=1S/C30H25N9O/c1-17-12-34-30(35-26-11-18(2)38(3)37-26)36-27(17)22-15-33-28-20(22)5-4-6-25(28)39-16-24-21(19-7-9-31-10-8-19)13-32-14-23(24)29(39)40/h4-15,33H,16H2,1-3H3,(H,34,35,36,37)
InChIKeyVOYYIQXIHXQABT-UHFFFAOYSA-N
MW527.59 g/mol
LogP5.34
Rot. Bonds5

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

2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 170673136) 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]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID170673136
Molecular FormulaC30H25N9O
Molecular Weight527.59 g/mol
Exact Mass527.22
IUPAC Name2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(cncc4-c4ccncc4)C3=O)cccc12
InChIInChI=1S/C30H25N9O/c1-17-12-34-30(35-26-11-18(2)38(3)37-26)36-27(17)22-15-33-28-20(22)5-4-6-25(28)39-16-24-21(19-7-9-31-10-8-19)13-32-14-23(24)29(39)40/h4-15,33H,16H2,1-3H3,(H,34,35,36,37)
InChIKeyVOYYIQXIHXQABT-UHFFFAOYSA-N
XLogP5.34
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.59
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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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]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one (CID 170673136) is 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(cncc4-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]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is VOYYIQXIHXQABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N9O/c1-17-12-34-30(35-26-11-18(2)38(3)37-26)36-27(17)22-15-33-28-20(22)5-4-6-25(28)39-16-24-21(19-7-9-31-10-8-19)13-32-14-23(24)29(39)40/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]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one?
2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-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]-7-pyridin-4-yl-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 170673136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).