[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone

C24H18F3N7OS — CID 169166460

IUPAC[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(-c2cnn(CC(F)(F)F)c2)s1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C24H18F3N7OS/c25-24(26,27)12-33-11-16(9-32-33)22-29-10-19(36-22)23(35)34-6-5-17-20(31-13-30-17)21(34)18-7-14-3-1-2-4-15(14)8-28-18/h1-4,7-11,13,21H,5-6,12H2,(H,30,31)/t21-/m1/s1
InChIKeyRXUVMEACZIKPLI-OAQYLSRUSA-N
MW509.52 g/mol
LogP4.63
Rot. Bonds4

About [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone

[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone (PubChem CID 169166460) has the molecular formula C24H18F3N7OS and a molecular weight of 509.52 g/mol. Its IUPAC name is [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone
PubChem CID169166460
Molecular FormulaC24H18F3N7OS
Molecular Weight509.52 g/mol
Exact Mass509.12
IUPAC Name[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(-c2cnn(CC(F)(F)F)c2)s1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1
InChIInChI=1S/C24H18F3N7OS/c25-24(26,27)12-33-11-16(9-32-33)22-29-10-19(36-22)23(35)34-6-5-17-20(31-13-30-17)21(34)18-7-14-3-1-2-4-15(14)8-28-18/h1-4,7-11,13,21H,5-6,12H2,(H,30,31)/t21-/m1/s1
InChIKeyRXUVMEACZIKPLI-OAQYLSRUSA-N
XLogP4.63
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone (CID 169166460) is [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone is O=C(c1cnc(-c2cnn(CC(F)(F)F)c2)s1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2cn1.
What is the InChIKey of [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone?
The InChIKey is RXUVMEACZIKPLI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H18F3N7OS/c25-24(26,27)12-33-11-16(9-32-33)22-29-10-19(36-22)23(35)34-6-5-17-20(31-13-30-17)21(34)18-7-14-3-1-2-4-15(14)8-28-18/h1-4,7-11,13,21H,5-6,12H2,(H,30,31)/t21-/m1/s1.
What are the key properties of [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone?
[(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone has a molecular weight of 509.52 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-isoquinolin-3-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 169166460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).