8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C24H23F8N3O6 — CID 90115632

IUPAC8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H](CO)CC[C@@H](O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22F5N3O4.C2HF3O2/c1-12-19(21(33)29-13(10-31)7-8-18(32)22(25,26)27)30-9-3-6-17(20(30)28-12)34-11-14-15(23)4-2-5-16(14)24;3-2(4,5)1(6)7/h2-6,9,13,18,31-32H,7-8,10-11H2,1H3,(H,29,33);(H,6,7)/t13-,18-;/m1./s1
InChIKeyHTERPKLVVDJQGH-QRGZVCNKSA-N
MW601.45 g/mol
LogP3.93
Rot. Bonds9

About 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 90115632) has the molecular formula C24H23F8N3O6 and a molecular weight of 601.45 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID90115632
Molecular FormulaC24H23F8N3O6
Molecular Weight601.45 g/mol
Exact Mass601.15
IUPAC Name8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H](CO)CC[C@@H](O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22F5N3O4.C2HF3O2/c1-12-19(21(33)29-13(10-31)7-8-18(32)22(25,26)27)30-9-3-6-17(20(30)28-12)34-11-14-15(23)4-2-5-16(14)24;3-2(4,5)1(6)7/h2-6,9,13,18,31-32H,7-8,10-11H2,1H3,(H,29,33);(H,6,7)/t13-,18-;/m1./s1
InChIKeyHTERPKLVVDJQGH-QRGZVCNKSA-N
XLogP3.93
TPSA133.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.45
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 90115632) is 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1nc2c(OCc3c(F)cccc3F)cccn2c1C(=O)N[C@@H](CO)CC[C@@H](O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HTERPKLVVDJQGH-QRGZVCNKSA-N. The full InChI is InChI=1S/C22H22F5N3O4.C2HF3O2/c1-12-19(21(33)29-13(10-31)7-8-18(32)22(25,26)27)30-9-3-6-17(20(30)28-12)34-11-14-15(23)4-2-5-16(14)24;3-2(4,5)1(6)7/h2-6,9,13,18,31-32H,7-8,10-11H2,1H3,(H,29,33);(H,6,7)/t13-,18-;/m1./s1.
What are the key properties of 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 601.45 g/mol, XLogP of 3.93, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)methoxy]-2-methyl-N-[(2R,5R)-6,6,6-trifluoro-1,5-dihydroxyhexan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90115632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).