8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide

C22H22F5N3O3 — CID 90115184

IUPAC8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)CCCC(F)(F)F
InChIInChI=1S/C22H22F5N3O3/c1-13-19(21(32)29-14(11-31)5-3-9-22(25,26)27)30-10-4-8-18(20(30)28-13)33-12-15-16(23)6-2-7-17(15)24/h2,4,6-8,10,14,31H,3,5,9,11-12H2,1H3,(H,29,32)
InChIKeySQEKWNSRMVVIIS-UHFFFAOYSA-N
MW471.43 g/mol
LogP4.32
Rot. Bonds9

About 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide

8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90115184) has the molecular formula C22H22F5N3O3 and a molecular weight of 471.43 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90115184
Molecular FormulaC22H22F5N3O3
Molecular Weight471.43 g/mol
Exact Mass471.16
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)CCCC(F)(F)F
InChIInChI=1S/C22H22F5N3O3/c1-13-19(21(32)29-14(11-31)5-3-9-22(25,26)27)30-10-4-8-18(20(30)28-13)33-12-15-16(23)6-2-7-17(15)24/h2,4,6-8,10,14,31H,3,5,9,11-12H2,1H3,(H,29,32)
InChIKeySQEKWNSRMVVIIS-UHFFFAOYSA-N
XLogP4.32
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90115184) is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)NC(CO)CCCC(F)(F)F.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is SQEKWNSRMVVIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F5N3O3/c1-13-19(21(32)29-14(11-31)5-3-9-22(25,26)27)30-10-4-8-18(20(30)28-13)33-12-15-16(23)6-2-7-17(15)24/h2,4,6-8,10,14,31H,3,5,9,11-12H2,1H3,(H,29,32).
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 471.43 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-(6,6,6-trifluoro-1-hydroxyhexan-2-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90115184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).