6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C26H25FN4O2 — CID 175615926

IUPAC6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)COc1cc(-c2ccc3nn(C)cc3c2)cc(F)c1CN1Cc2ncccc2C1=O
InChIInChI=1S/C26H25FN4O2/c1-16(2)15-33-25-11-18(17-6-7-23-19(9-17)12-30(3)29-23)10-22(27)21(25)13-31-14-24-20(26(31)32)5-4-8-28-24/h4-12,16H,13-15H2,1-3H3
InChIKeyYLNLCLBELACPNN-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.97
Rot. Bonds6

About 6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 175615926) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID175615926
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCC(C)COc1cc(-c2ccc3nn(C)cc3c2)cc(F)c1CN1Cc2ncccc2C1=O
InChIInChI=1S/C26H25FN4O2/c1-16(2)15-33-25-11-18(17-6-7-23-19(9-17)12-30(3)29-23)10-22(27)21(25)13-31-14-24-20(26(31)32)5-4-8-28-24/h4-12,16H,13-15H2,1-3H3
InChIKeyYLNLCLBELACPNN-UHFFFAOYSA-N
XLogP4.97
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 175615926) is 6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is CC(C)COc1cc(-c2ccc3nn(C)cc3c2)cc(F)c1CN1Cc2ncccc2C1=O.
What is the InChIKey of 6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is YLNLCLBELACPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-16(2)15-33-25-11-18(17-6-7-23-19(9-17)12-30(3)29-23)10-22(27)21(25)13-31-14-24-20(26(31)32)5-4-8-28-24/h4-12,16H,13-15H2,1-3H3.
What are the key properties of 6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 444.51 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(2-methylindazol-5-yl)-6-(2-methylpropoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 175615926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).