4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline

C24H21FN4O3 — CID 89491152

IUPAC4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline
SMILESCOc1ccc2c(OCc3nnc4n3CC(c3ccc(OC)c(F)c3)C=C4)ccnc2c1
InChIInChI=1S/C24H21FN4O3/c1-30-17-5-6-18-20(12-17)26-10-9-21(18)32-14-24-28-27-23-8-4-16(13-29(23)24)15-3-7-22(31-2)19(25)11-15/h3-12,16H,13-14H2,1-2H3
InChIKeyFLTDGNFHJPDNMN-UHFFFAOYSA-N
MW432.46 g/mol
LogP4.37
Rot. Bonds6

About 4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline

4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline (PubChem CID 89491152) has the molecular formula C24H21FN4O3 and a molecular weight of 432.46 g/mol. Its IUPAC name is 4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline.

Molecular Properties

Compound Name4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline
PubChem CID89491152
Molecular FormulaC24H21FN4O3
Molecular Weight432.46 g/mol
Exact Mass432.16
IUPAC Name4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline
SMILESCOc1ccc2c(OCc3nnc4n3CC(c3ccc(OC)c(F)c3)C=C4)ccnc2c1
InChIInChI=1S/C24H21FN4O3/c1-30-17-5-6-18-20(12-17)26-10-9-21(18)32-14-24-28-27-23-8-4-16(13-29(23)24)15-3-7-22(31-2)19(25)11-15/h3-12,16H,13-14H2,1-2H3
InChIKeyFLTDGNFHJPDNMN-UHFFFAOYSA-N
XLogP4.37
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline?
The IUPAC name of 4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline (CID 89491152) is 4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline.
What is the SMILES notation for 4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline?
The canonical SMILES for 4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline is COc1ccc2c(OCc3nnc4n3CC(c3ccc(OC)c(F)c3)C=C4)ccnc2c1.
What is the InChIKey of 4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline?
The InChIKey is FLTDGNFHJPDNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3/c1-30-17-5-6-18-20(12-17)26-10-9-21(18)32-14-24-28-27-23-8-4-16(13-29(23)24)15-3-7-22(31-2)19(25)11-15/h3-12,16H,13-14H2,1-2H3.
What are the key properties of 4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline?
4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline has a molecular weight of 432.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-fluoro-4-methoxyphenyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline is sourced from PubChem (CID 89491152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).