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

C27H25FN4O3 — CID 175615881

IUPAC6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1cc2c(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc(OCCOC3CC3)c2n1
InChIInChI=1S/C27H25FN4O3/c1-31-15-22-20(8-9-25(26(22)30-31)35-12-11-34-19-6-7-19)17-4-5-18(23(28)13-17)14-32-16-24-21(27(32)33)3-2-10-29-24/h2-5,8-10,13,15,19H,6-7,11-12,14,16H2,1H3
InChIKeyQEOGIAPLKAIGFT-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.49
Rot. Bonds8

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

6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 175615881) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is 6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID175615881
Molecular FormulaC27H25FN4O3
Molecular Weight472.52 g/mol
Exact Mass472.19
IUPAC Name6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCn1cc2c(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc(OCCOC3CC3)c2n1
InChIInChI=1S/C27H25FN4O3/c1-31-15-22-20(8-9-25(26(22)30-31)35-12-11-34-19-6-7-19)17-4-5-18(23(28)13-17)14-32-16-24-21(27(32)33)3-2-10-29-24/h2-5,8-10,13,15,19H,6-7,11-12,14,16H2,1H3
InChIKeyQEOGIAPLKAIGFT-UHFFFAOYSA-N
XLogP4.49
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 175615881) is 6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cn1cc2c(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc(OCCOC3CC3)c2n1.
What is the InChIKey of 6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is QEOGIAPLKAIGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O3/c1-31-15-22-20(8-9-25(26(22)30-31)35-12-11-34-19-6-7-19)17-4-5-18(23(28)13-17)14-32-16-24-21(27(32)33)3-2-10-29-24/h2-5,8-10,13,15,19H,6-7,11-12,14,16H2,1H3.
What are the key properties of 6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 472.52 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[7-(2-cyclopropyloxyethoxy)-2-methylindazol-4-yl]-2-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 175615881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).