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

C19H13F5N4O — CID 90408742

IUPAC[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(ncn2-c2ccc(F)cn2)C1
InChIInChI=1S/C19H13F5N4O/c20-11-4-5-16(25-8-11)28-10-26-14-9-27(7-6-15(14)28)18(29)12-2-1-3-13(17(12)21)19(22,23)24/h1-5,8,10H,6-7,9H2
InChIKeyJVDHNLVRCBJYAL-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.76
Rot. Bonds2

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

[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 90408742) has the molecular formula C19H13F5N4O and a molecular weight of 408.33 g/mol. Its IUPAC name is [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
PubChem CID90408742
Molecular FormulaC19H13F5N4O
Molecular Weight408.33 g/mol
Exact Mass408.10
IUPAC Name[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(ncn2-c2ccc(F)cn2)C1
InChIInChI=1S/C19H13F5N4O/c20-11-4-5-16(25-8-11)28-10-26-14-9-27(7-6-15(14)28)18(29)12-2-1-3-13(17(12)21)19(22,23)24/h1-5,8,10H,6-7,9H2
InChIKeyJVDHNLVRCBJYAL-UHFFFAOYSA-N
XLogP3.76
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone (CID 90408742) is [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1F)N1CCc2c(ncn2-c2ccc(F)cn2)C1.
What is the InChIKey of [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is JVDHNLVRCBJYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F5N4O/c20-11-4-5-16(25-8-11)28-10-26-14-9-27(7-6-15(14)28)18(29)12-2-1-3-13(17(12)21)19(22,23)24/h1-5,8,10H,6-7,9H2.
What are the key properties of [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone?
[1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 408.33 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 90408742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).