4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide

C22H22F4N4O — CID 166009014

IUPAC4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1ccc(C(F)F)cc1
InChIInChI=1S/C22H22F4N4O/c23-20(24)13-4-6-14(7-5-13)22(31)28-16-10-8-15(9-11-16)27-18-2-1-3-19-29-17(21(25)26)12-30(18)19/h1-7,12,15-16,20-21,27H,8-11H2,(H,28,31)
InChIKeyIMPNYQHHAMYGPY-UHFFFAOYSA-N
MW434.44 g/mol
LogP5.36
Rot. Bonds6

About 4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide

4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide (PubChem CID 166009014) has the molecular formula C22H22F4N4O and a molecular weight of 434.44 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
PubChem CID166009014
Molecular FormulaC22H22F4N4O
Molecular Weight434.44 g/mol
Exact Mass434.17
IUPAC Name4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1ccc(C(F)F)cc1
InChIInChI=1S/C22H22F4N4O/c23-20(24)13-4-6-14(7-5-13)22(31)28-16-10-8-15(9-11-16)27-18-2-1-3-19-29-17(21(25)26)12-30(18)19/h1-7,12,15-16,20-21,27H,8-11H2,(H,28,31)
InChIKeyIMPNYQHHAMYGPY-UHFFFAOYSA-N
XLogP5.36
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.44
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide (CID 166009014) is 4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide is O=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1ccc(C(F)F)cc1.
What is the InChIKey of 4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The InChIKey is IMPNYQHHAMYGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N4O/c23-20(24)13-4-6-14(7-5-13)22(31)28-16-10-8-15(9-11-16)27-18-2-1-3-19-29-17(21(25)26)12-30(18)19/h1-7,12,15-16,20-21,27H,8-11H2,(H,28,31).
What are the key properties of 4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide has a molecular weight of 434.44 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 166009014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).