N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide

C22H20F3N5O2 — CID 166009122

IUPACN-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1cccc2ncoc12
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)17-11-30-18(5-2-6-19(30)29-17)27-13-7-9-14(10-8-13)28-21(31)15-3-1-4-16-20(15)32-12-26-16/h1-6,11-14,27H,7-10H2,(H,28,31)
InChIKeyJOPOFXZAGUQVQI-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.65
Rot. Bonds4

About N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide

N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide (PubChem CID 166009122) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide
PubChem CID166009122
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1cccc2ncoc12
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)17-11-30-18(5-2-6-19(30)29-17)27-13-7-9-14(10-8-13)28-21(31)15-3-1-4-16-20(15)32-12-26-16/h1-6,11-14,27H,7-10H2,(H,28,31)
InChIKeyJOPOFXZAGUQVQI-UHFFFAOYSA-N
XLogP4.65
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide?
The IUPAC name of N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide (CID 166009122) is N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide is O=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1cccc2ncoc12.
What is the InChIKey of N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide?
The InChIKey is JOPOFXZAGUQVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c23-22(24,25)17-11-30-18(5-2-6-19(30)29-17)27-13-7-9-14(10-8-13)28-21(31)15-3-1-4-16-20(15)32-12-26-16/h1-6,11-14,27H,7-10H2,(H,28,31).
What are the key properties of N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide?
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 166009122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).