6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C22H18N4O — CID 175615945

IUPAC6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1ncc2cc(-c3ccc(CN4Cc5ncccc5C4=O)cc3)ccc21
InChIInChI=1S/C22H18N4O/c1-25-21-9-8-17(11-18(21)12-24-25)16-6-4-15(5-7-16)13-26-14-20-19(22(26)27)3-2-10-23-20/h2-12H,13-14H2,1H3
InChIKeyFHDGIVVHHUTJQD-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.79
Rot. Bonds3

About 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 175615945) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID175615945
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1ncc2cc(-c3ccc(CN4Cc5ncccc5C4=O)cc3)ccc21
InChIInChI=1S/C22H18N4O/c1-25-21-9-8-17(11-18(21)12-24-25)16-6-4-15(5-7-16)13-26-14-20-19(22(26)27)3-2-10-23-20/h2-12H,13-14H2,1H3
InChIKeyFHDGIVVHHUTJQD-UHFFFAOYSA-N
XLogP3.79
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 175615945) is 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cn1ncc2cc(-c3ccc(CN4Cc5ncccc5C4=O)cc3)ccc21.
What is the InChIKey of 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is FHDGIVVHHUTJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-25-21-9-8-17(11-18(21)12-24-25)16-6-4-15(5-7-16)13-26-14-20-19(22(26)27)3-2-10-23-20/h2-12H,13-14H2,1H3.
What are the key properties of 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 354.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 175615945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).