4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide

C24H26F5N5O — CID 166009130

IUPAC4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1ccc(NCCC(F)F)cc1
InChIInChI=1S/C24H26F5N5O/c25-20(26)12-13-30-16-6-4-15(5-7-16)23(35)32-18-10-8-17(9-11-18)31-21-2-1-3-22-33-19(14-34(21)22)24(27,28)29/h1-7,14,17-18,20,30-31H,8-13H2,(H,32,35)
InChIKeyXYQCEQBZGCUDJX-UHFFFAOYSA-N
MW495.50 g/mol
LogP5.57
Rot. Bonds8

About 4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide

4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide (PubChem CID 166009130) has the molecular formula C24H26F5N5O and a molecular weight of 495.50 g/mol. Its IUPAC name is 4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
PubChem CID166009130
Molecular FormulaC24H26F5N5O
Molecular Weight495.50 g/mol
Exact Mass495.21
IUPAC Name4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1ccc(NCCC(F)F)cc1
InChIInChI=1S/C24H26F5N5O/c25-20(26)12-13-30-16-6-4-15(5-7-16)23(35)32-18-10-8-17(9-11-18)31-21-2-1-3-22-33-19(14-34(21)22)24(27,28)29/h1-7,14,17-18,20,30-31H,8-13H2,(H,32,35)
InChIKeyXYQCEQBZGCUDJX-UHFFFAOYSA-N
XLogP5.57
TPSA70.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.50
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558091
2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide
CID 177065630
2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558189
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 164558237
2-(propan-2-ylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558337
CID 174069625
CID 174069625
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
CID 168782772
2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558229
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009014
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 164558388
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indole-3-carboxamide
CID 166009171

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The IUPAC name of 4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide (CID 166009130) is 4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The canonical SMILES for 4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide is O=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1ccc(NCCC(F)F)cc1.
What is the InChIKey of 4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
The InChIKey is XYQCEQBZGCUDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F5N5O/c25-20(26)12-13-30-16-6-4-15(5-7-16)23(35)32-18-10-8-17(9-11-18)31-21-2-1-3-22-33-19(14-34(21)22)24(27,28)29/h1-7,14,17-18,20,30-31H,8-13H2,(H,32,35).
What are the key properties of 4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide?
4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide has a molecular weight of 495.50 g/mol, XLogP of 5.57, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 166009130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).