[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone

C18H16F3N5O2 — CID 164696375

IUPAC[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCn1cc(C2CN(C(=O)c3ccccc3OC(F)(F)F)Cc3[nH]cnc32)cn1
InChIInChI=1S/C18H16F3N5O2/c1-25-7-11(6-24-25)13-8-26(9-14-16(13)23-10-22-14)17(27)12-4-2-3-5-15(12)28-18(19,20)21/h2-7,10,13H,8-9H2,1H3,(H,22,23)
InChIKeyXSJTWDXNEKDKRL-UHFFFAOYSA-N
MW391.35 g/mol
LogP2.83
Rot. Bonds3

About [7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone

[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 164696375) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is [7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID164696375
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone
SMILESCn1cc(C2CN(C(=O)c3ccccc3OC(F)(F)F)Cc3[nH]cnc32)cn1
InChIInChI=1S/C18H16F3N5O2/c1-25-7-11(6-24-25)13-8-26(9-14-16(13)23-10-22-14)17(27)12-4-2-3-5-15(12)28-18(19,20)21/h2-7,10,13H,8-9H2,1H3,(H,22,23)
InChIKeyXSJTWDXNEKDKRL-UHFFFAOYSA-N
XLogP2.83
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-difluoro-3-methoxyphenyl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598402
(1-benzylpyrazol-4-yl)-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598682
formic acid;2-(2-methylbenzimidazol-1-yl)-1-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 166598509
[4-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 121198342
4,4,4-trifluoro-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)butan-1-one
CID 164692889
formic acid;1-methyl-4-[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]phthalazine
CID 171322790
(3,4-difluorophenyl)-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 164699015
(4-hydroxypiperidin-1-yl)-[2-(trifluoromethoxy)phenyl]methanone
CID 111463148
(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 165418989
1,3-dihydro-2-benzofuran-4-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598641
formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 171322404
[7-(3-hydroxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxyquinolin-4-yl)methanone
CID 165419465

Frequently Asked Questions

What is the IUPAC name of [7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of [7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone (CID 164696375) is [7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for [7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for [7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone is Cn1cc(C2CN(C(=O)c3ccccc3OC(F)(F)F)Cc3[nH]cnc32)cn1.
What is the InChIKey of [7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is XSJTWDXNEKDKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-25-7-11(6-24-25)13-8-26(9-14-16(13)23-10-22-14)17(27)12-4-2-3-5-15(12)28-18(19,20)21/h2-7,10,13H,8-9H2,1H3,(H,22,23).
What are the key properties of [7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone?
[7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 391.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(1-methylpyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 164696375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).