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

C30H24FN9O — CID 170672948

IUPAC2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(5-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(ccnc4-c4cncc(F)c4)C3=O)cccc12
InChIInChI=1S/C30H24FN9O/c1-16-11-35-30(36-25-9-17(2)39(3)38-25)37-26(16)22-14-34-28-20(22)5-4-6-24(28)40-15-23-21(29(40)41)7-8-33-27(23)18-10-19(31)13-32-12-18/h4-14,34H,15H2,1-3H3,(H,35,36,37,38)
InChIKeyBEUWASXSPARQTR-UHFFFAOYSA-N
MW545.58 g/mol
LogP5.48
Rot. Bonds5

About 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(5-fluoro-3-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-(5-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 170672948) has the molecular formula C30H24FN9O and a molecular weight of 545.58 g/mol. Its IUPAC name is 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(5-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(5-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID170672948
Molecular FormulaC30H24FN9O
Molecular Weight545.58 g/mol
Exact Mass545.21
IUPAC Name2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(5-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(ccnc4-c4cncc(F)c4)C3=O)cccc12
InChIInChI=1S/C30H24FN9O/c1-16-11-35-30(36-25-9-17(2)39(3)38-25)37-26(16)22-14-34-28-20(22)5-4-6-24(28)40-15-23-21(29(40)41)7-8-33-27(23)18-10-19(31)13-32-12-18/h4-14,34H,15H2,1-3H3,(H,35,36,37,38)
InChIKeyBEUWASXSPARQTR-UHFFFAOYSA-N
XLogP5.48
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.58
LogP ≤ 55.48
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]-4-(5-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-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]-4-(5-fluoro-3-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-(5-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one (CID 170672948) is 2-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-4-(5-fluoro-3-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-(5-fluoro-3-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-(5-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(N3Cc4c(ccnc4-c4cncc(F)c4)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-(5-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is BEUWASXSPARQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN9O/c1-16-11-35-30(36-25-9-17(2)39(3)38-25)37-26(16)22-14-34-28-20(22)5-4-6-24(28)40-15-23-21(29(40)41)7-8-33-27(23)18-10-19(31)13-32-12-18/h4-14,34H,15H2,1-3H3,(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-(5-fluoro-3-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-(5-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 545.58 g/mol, XLogP of 5.48, 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-(5-fluoro-3-pyridinyl)-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 170672948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).