[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone

C40H28Cl2F8N8O2 — CID 118875592

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC1c2ncn(-c3ccc(F)cn3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl.CC1c2ncn(-c3ccc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C20H15ClF4N4O.C20H13ClF4N4O/c2*1-11-18-15(29(10-27-18)16-6-5-12(22)9-26-16)7-8-28(11)19(30)13-3-2-4-14(17(13)21)20(23,24)25/h2-6,9-11H,7-8H2,1H3;2-11H,1H3
InChIKeyUYBJDHNHHMESGC-UHFFFAOYSA-N
MW875.61 g/mol
LogP10.10
Rot. Bonds4

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

[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 118875592) has the molecular formula C40H28Cl2F8N8O2 and a molecular weight of 875.61 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID118875592
Molecular FormulaC40H28Cl2F8N8O2
Molecular Weight875.61 g/mol
Exact Mass874.16
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESCC1c2ncn(-c3ccc(F)cn3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl.CC1c2ncn(-c3ccc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C20H15ClF4N4O.C20H13ClF4N4O/c2*1-11-18-15(29(10-27-18)16-6-5-12(22)9-26-16)7-8-28(11)19(30)13-3-2-4-14(17(13)21)20(23,24)25/h2-6,9-11H,7-8H2,1H3;2-11H,1H3
InChIKeyUYBJDHNHHMESGC-UHFFFAOYSA-N
XLogP10.10
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.61
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 118875592) is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone is CC1c2ncn(-c3ccc(F)cn3)c2C=CN1C(=O)c1cccc(C(F)(F)F)c1Cl.CC1c2ncn(-c3ccc(F)cn3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is UYBJDHNHHMESGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF4N4O.C20H13ClF4N4O/c2*1-11-18-15(29(10-27-18)16-6-5-12(22)9-26-16)7-8-28(11)19(30)13-3-2-4-14(17(13)21)20(23,24)25/h2-6,9-11H,7-8H2,1H3;2-11H,1H3.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 875.61 g/mol, XLogP of 10.10, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone;[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-4-methyl-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 118875592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).