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

C23H21F3N4O2 — CID 166009058

IUPACN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C23H21F3N4O2/c24-14-4-9-18-13(10-14)11-19(32-18)23(31)28-16-7-5-15(6-8-16)27-20-2-1-3-21-29-17(22(25)26)12-30(20)21/h1-4,9-12,15-16,22,27H,5-8H2,(H,28,31)
InChIKeyDJFKIQJCGOIGLS-UHFFFAOYSA-N
MW442.44 g/mol
LogP5.31
Rot. Bonds5

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

N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide (PubChem CID 166009058) has the molecular formula C23H21F3N4O2 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide
PubChem CID166009058
Molecular FormulaC23H21F3N4O2
Molecular Weight442.44 g/mol
Exact Mass442.16
IUPAC NameN-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide
SMILESO=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1cc2cc(F)ccc2o1
InChIInChI=1S/C23H21F3N4O2/c24-14-4-9-18-13(10-14)11-19(32-18)23(31)28-16-7-5-15(6-8-16)27-20-2-1-3-21-29-17(22(25)26)12-30(20)21/h1-4,9-12,15-16,22,27H,5-8H2,(H,28,31)
InChIKeyDJFKIQJCGOIGLS-UHFFFAOYSA-N
XLogP5.31
TPSA71.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide (CID 166009058) is N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide is O=C(NC1CCC(Nc2cccc3nc(C(F)F)cn23)CC1)c1cc2cc(F)ccc2o1.
What is the InChIKey of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide?
The InChIKey is DJFKIQJCGOIGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O2/c24-14-4-9-18-13(10-14)11-19(32-18)23(31)28-16-7-5-15(6-8-16)27-20-2-1-3-21-29-17(22(25)26)12-30(20)21/h1-4,9-12,15-16,22,27H,5-8H2,(H,28,31).
What are the key properties of N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide?
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-5-fluoro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166009058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).