7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C22H20FN7O — CID 146490621

IUPAC7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOCCc1nc2c(-c3ccc4ncc(C)n4c3)c(-c3ccc(F)cc3)nc(N)n2n1
InChIInChI=1S/C22H20FN7O/c1-13-11-25-18-8-5-15(12-29(13)18)19-20(14-3-6-16(23)7-4-14)27-22(24)30-21(19)26-17(28-30)9-10-31-2/h3-8,11-12H,9-10H2,1-2H3,(H2,24,27)
InChIKeyAKTXUNFJKSXMRB-UHFFFAOYSA-N
MW417.45 g/mol
LogP3.32
Rot. Bonds5

About 7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490621) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490621
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC Name7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCOCCc1nc2c(-c3ccc4ncc(C)n4c3)c(-c3ccc(F)cc3)nc(N)n2n1
InChIInChI=1S/C22H20FN7O/c1-13-11-25-18-8-5-15(12-29(13)18)19-20(14-3-6-16(23)7-4-14)27-22(24)30-21(19)26-17(28-30)9-10-31-2/h3-8,11-12H,9-10H2,1-2H3,(H2,24,27)
InChIKeyAKTXUNFJKSXMRB-UHFFFAOYSA-N
XLogP3.32
TPSA95.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490621) is 7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is COCCc1nc2c(-c3ccc4ncc(C)n4c3)c(-c3ccc(F)cc3)nc(N)n2n1.
What is the InChIKey of 7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is AKTXUNFJKSXMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c1-13-11-25-18-8-5-15(12-29(13)18)19-20(14-3-6-16(23)7-4-14)27-22(24)30-21(19)26-17(28-30)9-10-31-2/h3-8,11-12H,9-10H2,1-2H3,(H2,24,27).
What are the key properties of 7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 417.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).