[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone

C17H14ClF2N5O — CID 77079947

IUPAC[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1
InChIInChI=1S/C17H14ClF2N5O/c18-11-3-1-10(2-4-11)15-21-12-5-7-24(9-14(12)22-15)16(26)13-6-8-25(23-13)17(19)20/h1-4,6,8,17H,5,7,9H2,(H,21,22)
InChIKeyDYICWQUEEGHTQN-UHFFFAOYSA-N
MW377.78 g/mol
LogP3.52
Rot. Bonds3

About [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone

[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone (PubChem CID 77079947) has the molecular formula C17H14ClF2N5O and a molecular weight of 377.78 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone
PubChem CID77079947
Molecular FormulaC17H14ClF2N5O
Molecular Weight377.78 g/mol
Exact Mass377.09
IUPAC Name[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone
SMILESO=C(c1ccn(C(F)F)n1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1
InChIInChI=1S/C17H14ClF2N5O/c18-11-3-1-10(2-4-11)15-21-12-5-7-24(9-14(12)22-15)16(26)13-6-8-25(23-13)17(19)20/h1-4,6,8,17H,5,7,9H2,(H,21,22)
InChIKeyDYICWQUEEGHTQN-UHFFFAOYSA-N
XLogP3.52
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone (CID 77079947) is [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone is O=C(c1ccn(C(F)F)n1)N1CCc2nc(-c3ccc(Cl)cc3)[nH]c2C1.
What is the InChIKey of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is DYICWQUEEGHTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5O/c18-11-3-1-10(2-4-11)15-21-12-5-7-24(9-14(12)22-15)16(26)13-6-8-25(23-13)17(19)20/h1-4,6,8,17H,5,7,9H2,(H,21,22).
What are the key properties of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone?
[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 377.78 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[1-(difluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 77079947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).