[5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol

C23H19FN2O4 — CID 118714120

IUPAC[5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(F)c3)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C23H19FN2O4/c1-28-22-6-5-15(10-25-22)23-17-8-20-21(30-13-29-20)9-18(17)26(19(23)12-27)11-14-3-2-4-16(24)7-14/h2-10,27H,11-13H2,1H3
InChIKeyGUHNMFCPVWTRLD-UHFFFAOYSA-N
MW406.41 g/mol
LogP4.12
Rot. Bonds5

About [5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol

[5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol (PubChem CID 118714120) has the molecular formula C23H19FN2O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is [5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol.

Molecular Properties

Compound Name[5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
PubChem CID118714120
Molecular FormulaC23H19FN2O4
Molecular Weight406.41 g/mol
Exact Mass406.13
IUPAC Name[5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol
SMILESCOc1ccc(-c2c(CO)n(Cc3cccc(F)c3)c3cc4c(cc23)OCO4)cn1
InChIInChI=1S/C23H19FN2O4/c1-28-22-6-5-15(10-25-22)23-17-8-20-21(30-13-29-20)9-18(17)26(19(23)12-27)11-14-3-2-4-16(24)7-14/h2-10,27H,11-13H2,1H3
InChIKeyGUHNMFCPVWTRLD-UHFFFAOYSA-N
XLogP4.12
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The IUPAC name of [5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol (CID 118714120) is [5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol.
What is the SMILES notation for [5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The canonical SMILES for [5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol is COc1ccc(-c2c(CO)n(Cc3cccc(F)c3)c3cc4c(cc23)OCO4)cn1.
What is the InChIKey of [5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
The InChIKey is GUHNMFCPVWTRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4/c1-28-22-6-5-15(10-25-22)23-17-8-20-21(30-13-29-20)9-18(17)26(19(23)12-27)11-14-3-2-4-16(24)7-14/h2-10,27H,11-13H2,1H3.
What are the key properties of [5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol?
[5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol has a molecular weight of 406.41 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-fluorophenyl)methyl]-7-(6-methoxy-3-pyridinyl)-[1,3]dioxolo[4,5-f]indol-6-yl]methanol is sourced from PubChem (CID 118714120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).