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

C19H13ClF4N4O — CID 90409668

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccc(F)cn2)C1
InChIInChI=1S/C19H13ClF4N4O/c20-17-12(2-1-3-13(17)19(22,23)24)18(29)27-7-6-15-14(9-27)26-10-28(15)16-5-4-11(21)8-25-16/h1-5,8,10H,6-7,9H2
InChIKeyYWVQILGNCOWLGD-UHFFFAOYSA-N
MW424.79 g/mol
LogP4.28
Rot. Bonds2

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

[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 90409668) has the molecular formula C19H13ClF4N4O and a molecular weight of 424.79 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID90409668
Molecular FormulaC19H13ClF4N4O
Molecular Weight424.79 g/mol
Exact Mass424.07
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccc(F)cn2)C1
InChIInChI=1S/C19H13ClF4N4O/c20-17-12(2-1-3-13(17)19(22,23)24)18(29)27-7-6-15-14(9-27)26-10-28(15)16-5-4-11(21)8-25-16/h1-5,8,10H,6-7,9H2
InChIKeyYWVQILGNCOWLGD-UHFFFAOYSA-N
XLogP4.28
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.79
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 90409668) is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-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)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccc(F)cn2)C1.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is YWVQILGNCOWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF4N4O/c20-17-12(2-1-3-13(17)19(22,23)24)18(29)27-7-6-15-14(9-27)26-10-28(15)16-5-4-11(21)8-25-16/h1-5,8,10H,6-7,9H2.
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 424.79 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 90409668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).