4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide

C22H20F4N6O — CID 166009045

IUPAC4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1n[nH]c2cccc(F)c12
InChIInChI=1S/C22H20F4N6O/c23-14-3-1-4-15-19(14)20(31-30-15)21(33)28-13-9-7-12(8-10-13)27-17-5-2-6-18-29-16(11-32(17)18)22(24,25)26/h1-6,11-13,27H,7-10H2,(H,28,33)(H,30,31)
InChIKeyGIILBNSUSQSGMS-UHFFFAOYSA-N
MW460.44 g/mol
LogP4.52
Rot. Bonds4

About 4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide

4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide (PubChem CID 166009045) has the molecular formula C22H20F4N6O and a molecular weight of 460.44 g/mol. Its IUPAC name is 4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide
PubChem CID166009045
Molecular FormulaC22H20F4N6O
Molecular Weight460.44 g/mol
Exact Mass460.16
IUPAC Name4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1n[nH]c2cccc(F)c12
InChIInChI=1S/C22H20F4N6O/c23-14-3-1-4-15-19(14)20(31-30-15)21(33)28-13-9-7-12(8-10-13)27-17-5-2-6-18-29-16(11-32(17)18)22(24,25)26/h1-6,11-13,27H,7-10H2,(H,28,33)(H,30,31)
InChIKeyGIILBNSUSQSGMS-UHFFFAOYSA-N
XLogP4.52
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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]-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
4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
CID 166008993
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 166009116
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 164558237
4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009130
2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558229
(E)-2-(5-amino-1H-pyrazol-4-yl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]but-2-enamide
CID 168782777
2-(propan-2-ylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558337
3-amino-2-methanimidoyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 167142206

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide?
The IUPAC name of 4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide (CID 166009045) is 4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide is O=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1n[nH]c2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide?
The InChIKey is GIILBNSUSQSGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N6O/c23-14-3-1-4-15-19(14)20(31-30-15)21(33)28-13-9-7-12(8-10-13)27-17-5-2-6-18-29-16(11-32(17)18)22(24,25)26/h1-6,11-13,27H,7-10H2,(H,28,33)(H,30,31).
What are the key properties of 4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide?
4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide has a molecular weight of 460.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166009045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).