[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone

C24H16F3N5O2S — CID 169164065

IUPAC[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(-c2cc(C(F)(F)F)ccn2)s1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C24H16F3N5O2S/c25-24(26,27)14-5-7-28-16(10-14)22-29-11-19(35-22)23(33)32-8-6-15-20(31-12-30-15)21(32)18-9-13-3-1-2-4-17(13)34-18/h1-5,7,9-12,21H,6,8H2,(H,30,31)/t21-/m1/s1
InChIKeyZYEHJQNDXXVQEF-OAQYLSRUSA-N
MW495.49 g/mol
LogP5.48
Rot. Bonds3

About [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone

[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone (PubChem CID 169164065) has the molecular formula C24H16F3N5O2S and a molecular weight of 495.49 g/mol. Its IUPAC name is [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone
PubChem CID169164065
Molecular FormulaC24H16F3N5O2S
Molecular Weight495.49 g/mol
Exact Mass495.10
IUPAC Name[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(-c2cc(C(F)(F)F)ccn2)s1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C24H16F3N5O2S/c25-24(26,27)14-5-7-28-16(10-14)22-29-11-19(35-22)23(33)32-8-6-15-20(31-12-30-15)21(32)18-9-13-3-1-2-4-17(13)34-18/h1-5,7,9-12,21H,6,8H2,(H,30,31)/t21-/m1/s1
InChIKeyZYEHJQNDXXVQEF-OAQYLSRUSA-N
XLogP5.48
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 5280188
CID 5280188
CID 162675169
CID 162675169
CID 166625289
CID 166625289
CID 166628685
CID 166628685
CID 166629193
CID 166629193
CID 166629878
CID 166629878
CID 166631330
CID 166631330
CID 166633163
CID 166633163
CID 166633628
CID 166633628
CID 166634094
CID 166634094
CID 166635269
CID 166635269
CID 166627316
CID 166627316

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone?
The IUPAC name of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone (CID 169164065) is [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone is O=C(c1cnc(-c2cc(C(F)(F)F)ccn2)s1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1.
What is the InChIKey of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone?
The InChIKey is ZYEHJQNDXXVQEF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H16F3N5O2S/c25-24(26,27)14-5-7-28-16(10-14)22-29-11-19(35-22)23(33)32-8-6-15-20(31-12-30-15)21(32)18-9-13-3-1-2-4-17(13)34-18/h1-5,7,9-12,21H,6,8H2,(H,30,31)/t21-/m1/s1.
What are the key properties of [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone?
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone has a molecular weight of 495.49 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 169164065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).