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

C17H13ClF3N5O — CID 86271662

IUPAC[2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccn[nH]2)C1
InChIInChI=1S/C17H13ClF3N5O/c18-15-10(2-1-3-11(15)17(19,20)21)16(27)25-7-5-13-12(8-25)22-9-26(13)14-4-6-23-24-14/h1-4,6,9H,5,7-8H2,(H,23,24)
InChIKeySHXKZPPQDJUHAS-UHFFFAOYSA-N
MW395.77 g/mol
LogP3.47
Rot. Bonds2

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

[2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 86271662) has the molecular formula C17H13ClF3N5O and a molecular weight of 395.77 g/mol. Its IUPAC name is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID86271662
Molecular FormulaC17H13ClF3N5O
Molecular Weight395.77 g/mol
Exact Mass395.08
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccn[nH]2)C1
InChIInChI=1S/C17H13ClF3N5O/c18-15-10(2-1-3-11(15)17(19,20)21)16(27)25-7-5-13-12(8-25)22-9-26(13)14-4-6-23-24-14/h1-4,6,9H,5,7-8H2,(H,23,24)
InChIKeySHXKZPPQDJUHAS-UHFFFAOYSA-N
XLogP3.47
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone (CID 86271662) is [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(ncn2-c2ccn[nH]2)C1.
What is the InChIKey of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is SHXKZPPQDJUHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3N5O/c18-15-10(2-1-3-11(15)17(19,20)21)16(27)25-7-5-13-12(8-25)22-9-26(13)14-4-6-23-24-14/h1-4,6,9H,5,7-8H2,(H,23,24).
What are the key properties of [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone?
[2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 395.77 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 86271662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).