7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C24H16F2N8 — CID 146490845

IUPAC7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C24H16F2N8/c25-16-6-3-14(4-7-16)22-21(15-5-8-20-29-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-18-17(26)2-1-9-28-18/h1-11,13H,12H2,(H2,27,31)
InChIKeyOQZXZXPCKRYZRK-UHFFFAOYSA-N
MW454.44 g/mol
LogP3.95
Rot. Bonds4

About 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490845) has the molecular formula C24H16F2N8 and a molecular weight of 454.44 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490845
Molecular FormulaC24H16F2N8
Molecular Weight454.44 g/mol
Exact Mass454.15
IUPAC Name7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12
InChIInChI=1S/C24H16F2N8/c25-16-6-3-14(4-7-16)22-21(15-5-8-20-29-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-18-17(26)2-1-9-28-18/h1-11,13H,12H2,(H2,27,31)
InChIKeyOQZXZXPCKRYZRK-UHFFFAOYSA-N
XLogP3.95
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[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-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490845) is 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[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-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12.
What is the InChIKey of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is OQZXZXPCKRYZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N8/c25-16-6-3-14(4-7-16)22-21(15-5-8-20-29-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-18-17(26)2-1-9-28-18/h1-11,13H,12H2,(H2,27,31).
What are the key properties of 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 454.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[(3-fluoro-2-pyridinyl)methyl]-8-imidazo[1,2-a]pyridin-6-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).