[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol

C19H16ClF4N5O — CID 123283699

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol
SMILESCC1c2ncn(-c3ncc(F)cn3)c2CCN1C(O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H16ClF4N5O/c1-10-16-14(29(9-27-16)18-25-7-11(21)8-26-18)5-6-28(10)17(30)12-3-2-4-13(15(12)20)19(22,23)24/h2-4,7-10,17,30H,5-6H2,1H3
InChIKeyNTQNFKHXMXJYPG-UHFFFAOYSA-N
MW441.82 g/mol
LogP4.08
Rot. Bonds3

About [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol

[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol (PubChem CID 123283699) has the molecular formula C19H16ClF4N5O and a molecular weight of 441.82 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol
PubChem CID123283699
Molecular FormulaC19H16ClF4N5O
Molecular Weight441.82 g/mol
Exact Mass441.10
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol
SMILESCC1c2ncn(-c3ncc(F)cn3)c2CCN1C(O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H16ClF4N5O/c1-10-16-14(29(9-27-16)18-25-7-11(21)8-26-18)5-6-28(10)17(30)12-3-2-4-13(15(12)20)19(22,23)24/h2-4,7-10,17,30H,5-6H2,1H3
InChIKeyNTQNFKHXMXJYPG-UHFFFAOYSA-N
XLogP4.08
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.82
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol with MolForge

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Related Compounds

{3-[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl}-methanol
CID 44231857
[4-(4-Amino-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-5-yl)-phenyl]-methanol
CID 89450263
(3-{9-[1-(2-chloro-4-fluorobenzyl)piperidin-4-yl]-6-morpholin-4-yl-9H-purin-2-yl}phenyl)methanol
CID 25072770
2-[2-[1-[8-Chloro-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]phenyl]propan-2-ol
CID 58103865
[2,4-dichloro-3-[2-[(3,4-difluorophenyl)methylamino]-9-[[(3R)-piperidin-3-yl]methyl]purin-8-yl]phenyl]methanol
CID 58155805
[3-[2-[(2-Chlorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824431
[3-[2-[(2-Chloro-6-fluorophenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 58824541
[2-[2-(4-Chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-6-fluorophenyl]methanol
CID 67265042
[3-[2-(4-Chloro-3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
CID 67265087
[3-[2-(3-Chloro-4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
CID 67265647
[3-[2-(4-Chlorophenyl)-3-methylimidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
CID 69810487
[3-[2-(3-Chlorophenyl)-3-methylimidazo[1,2-a]pyridin-6-yl]-2,6-difluorophenyl]methanol
CID 69810836

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol (CID 123283699) is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol is CC1c2ncn(-c3ncc(F)cn3)c2CCN1C(O)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol?
The InChIKey is NTQNFKHXMXJYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF4N5O/c1-10-16-14(29(9-27-16)18-25-7-11(21)8-26-18)5-6-28(10)17(30)12-3-2-4-13(15(12)20)19(22,23)24/h2-4,7-10,17,30H,5-6H2,1H3.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol?
[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol has a molecular weight of 441.82 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanol is sourced from PubChem (CID 123283699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).