4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide

C29H28F4N4O2 — CID 66555979

IUPAC4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1ccc(F)cc1Oc1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4(C)CC4)c(C)c3)n2c1
InChIInChI=1S/C29H28F4N4O2/c1-17-4-6-20(30)13-25(17)39-21-14-23(34-11-10-29(31,32)33)26-35-15-24(37(26)16-21)19-5-7-22(18(2)12-19)27(38)36-28(3)8-9-28/h4-7,12-16,34H,8-11H2,1-3H3,(H,36,38)
InChIKeyUHYKXFJQEJLSKM-UHFFFAOYSA-N
MW540.56 g/mol
LogP7.20
Rot. Bonds8

About 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide

4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide (PubChem CID 66555979) has the molecular formula C29H28F4N4O2 and a molecular weight of 540.56 g/mol. Its IUPAC name is 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
PubChem CID66555979
Molecular FormulaC29H28F4N4O2
Molecular Weight540.56 g/mol
Exact Mass540.21
IUPAC Name4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1ccc(F)cc1Oc1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4(C)CC4)c(C)c3)n2c1
InChIInChI=1S/C29H28F4N4O2/c1-17-4-6-20(30)13-25(17)39-21-14-23(34-11-10-29(31,32)33)26-35-15-24(37(26)16-21)19-5-7-22(18(2)12-19)27(38)36-28(3)8-9-28/h4-7,12-16,34H,8-11H2,1-3H3,(H,36,38)
InChIKeyUHYKXFJQEJLSKM-UHFFFAOYSA-N
XLogP7.20
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.56
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
The IUPAC name of 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide (CID 66555979) is 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
The canonical SMILES for 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide is Cc1ccc(F)cc1Oc1cc(NCCC(F)(F)F)c2ncc(-c3ccc(C(=O)NC4(C)CC4)c(C)c3)n2c1.
What is the InChIKey of 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
The InChIKey is UHYKXFJQEJLSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F4N4O2/c1-17-4-6-20(30)13-25(17)39-21-14-23(34-11-10-29(31,32)33)26-35-15-24(37(26)16-21)19-5-7-22(18(2)12-19)27(38)36-28(3)8-9-28/h4-7,12-16,34H,8-11H2,1-3H3,(H,36,38).
What are the key properties of 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide has a molecular weight of 540.56 g/mol, XLogP of 7.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 66555979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).