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

C23H17FN8S — CID 146490680

IUPAC7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1nc(Cc2nc3c(-c4ccc5nccn5c4)c(-c4ccc(F)cc4)nc(N)n3n2)cs1
InChIInChI=1S/C23H17FN8S/c1-13-27-17(12-33-13)10-18-28-22-20(15-4-7-19-26-8-9-31(19)11-15)21(29-23(25)32(22)30-18)14-2-5-16(24)6-3-14/h2-9,11-12H,10H2,1H3,(H2,25,29)
InChIKeyHPXVMQGCIJGOCF-UHFFFAOYSA-N
MW456.51 g/mol
LogP4.18
Rot. Bonds4

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

7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490680) has the molecular formula C23H17FN8S and a molecular weight of 456.51 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490680
Molecular FormulaC23H17FN8S
Molecular Weight456.51 g/mol
Exact Mass456.13
IUPAC Name7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCc1nc(Cc2nc3c(-c4ccc5nccn5c4)c(-c4ccc(F)cc4)nc(N)n3n2)cs1
InChIInChI=1S/C23H17FN8S/c1-13-27-17(12-33-13)10-18-28-22-20(15-4-7-19-26-8-9-31(19)11-15)21(29-23(25)32(22)30-18)14-2-5-16(24)6-3-14/h2-9,11-12H,10H2,1H3,(H2,25,29)
InChIKeyHPXVMQGCIJGOCF-UHFFFAOYSA-N
XLogP4.18
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine 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 7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490680) is 7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Cc1nc(Cc2nc3c(-c4ccc5nccn5c4)c(-c4ccc(F)cc4)nc(N)n3n2)cs1.
What is the InChIKey of 7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is HPXVMQGCIJGOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN8S/c1-13-27-17(12-33-13)10-18-28-22-20(15-4-7-19-26-8-9-31(19)11-15)21(29-23(25)32(22)30-18)14-2-5-16(24)6-3-14/h2-9,11-12H,10H2,1H3,(H2,25,29).
What are the key properties of 7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 456.51 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-8-imidazo[1,2-a]pyridin-6-yl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).