6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C23H23F5N4O4 — CID 154998311

IUPAC6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22F2N4O2.C2HF3O2/c1-2-13-10-15(24-21(28)17-5-3-4-16(25-17)19(22)23)11-27-12-18(26-20(13)27)14-6-8-29-9-7-14;3-2(4,5)1(6)7/h3-5,10-12,14,19H,2,6-9H2,1H3,(H,24,28);(H,6,7)
InChIKeySXBBOFXVEKEVFC-UHFFFAOYSA-N
MW514.45 g/mol
LogP5.01
Rot. Bonds5

About 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154998311) has the molecular formula C23H23F5N4O4 and a molecular weight of 514.45 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154998311
Molecular FormulaC23H23F5N4O4
Molecular Weight514.45 g/mol
Exact Mass514.16
IUPAC Name6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22F2N4O2.C2HF3O2/c1-2-13-10-15(24-21(28)17-5-3-4-16(25-17)19(22)23)11-27-12-18(26-20(13)27)14-6-8-29-9-7-14;3-2(4,5)1(6)7/h3-5,10-12,14,19H,2,6-9H2,1H3,(H,24,28);(H,6,7)
InChIKeySXBBOFXVEKEVFC-UHFFFAOYSA-N
XLogP5.01
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.45
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154998311) is 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is CCc1cc(NC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12.O=C(O)C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SXBBOFXVEKEVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2.C2HF3O2/c1-2-13-10-15(24-21(28)17-5-3-4-16(25-17)19(22)23)11-27-12-18(26-20(13)27)14-6-8-29-9-7-14;3-2(4,5)1(6)7/h3-5,10-12,14,19H,2,6-9H2,1H3,(H,24,28);(H,6,7).
What are the key properties of 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 514.45 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154998311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).