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

C23H23FN8 — CID 146490650

IUPAC2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)n4nc(CCN(C)C)nc34)cn12
InChIInChI=1S/C23H23FN8/c1-14-12-26-19-9-6-16(13-31(14)19)20-21(15-4-7-17(24)8-5-15)28-23(25)32-22(20)27-18(29-32)10-11-30(2)3/h4-9,12-13H,10-11H2,1-3H3,(H2,25,28)
InChIKeyRJODVEWAMLKSIX-UHFFFAOYSA-N
MW430.49 g/mol
LogP3.24
Rot. Bonds5

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

2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490650) has the molecular formula C23H23FN8 and a molecular weight of 430.49 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490650
Molecular FormulaC23H23FN8
Molecular Weight430.49 g/mol
Exact Mass430.20
IUPAC Name2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)n4nc(CCN(C)C)nc34)cn12
InChIInChI=1S/C23H23FN8/c1-14-12-26-19-9-6-16(13-31(14)19)20-21(15-4-7-17(24)8-5-15)28-23(25)32-22(20)27-18(29-32)10-11-30(2)3/h4-9,12-13H,10-11H2,1-3H3,(H2,25,28)
InChIKeyRJODVEWAMLKSIX-UHFFFAOYSA-N
XLogP3.24
TPSA89.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-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 2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490650) is 2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-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 2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1cnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)n4nc(CCN(C)C)nc34)cn12.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is RJODVEWAMLKSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN8/c1-14-12-26-19-9-6-16(13-31(14)19)20-21(15-4-7-17(24)8-5-15)28-23(25)32-22(20)27-18(29-32)10-11-30(2)3/h4-9,12-13H,10-11H2,1-3H3,(H2,25,28).
What are the key properties of 2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 430.49 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a]pyridin-6-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).