4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide

C28H26F4N4O2 — CID 70818271

IUPAC4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1cc(-c2c(Oc3cccc(F)c3)cn3ccnc3c2NCCC(F)(F)F)ccc1C(=O)NC1(C)CC1
InChIInChI=1S/C28H26F4N4O2/c1-17-14-18(6-7-21(17)26(37)35-27(2)8-9-27)23-22(38-20-5-3-4-19(29)15-20)16-36-13-12-34-25(36)24(23)33-11-10-28(30,31)32/h3-7,12-16,33H,8-11H2,1-2H3,(H,35,37)
InChIKeyKMYMTZUICADAEG-UHFFFAOYSA-N
MW526.53 g/mol
LogP6.89
Rot. Bonds8

About 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide

4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide (PubChem CID 70818271) has the molecular formula C28H26F4N4O2 and a molecular weight of 526.53 g/mol. Its IUPAC name is 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
PubChem CID70818271
Molecular FormulaC28H26F4N4O2
Molecular Weight526.53 g/mol
Exact Mass526.20
IUPAC Name4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1cc(-c2c(Oc3cccc(F)c3)cn3ccnc3c2NCCC(F)(F)F)ccc1C(=O)NC1(C)CC1
InChIInChI=1S/C28H26F4N4O2/c1-17-14-18(6-7-21(17)26(37)35-27(2)8-9-27)23-22(38-20-5-3-4-19(29)15-20)16-36-13-12-34-25(36)24(23)33-11-10-28(30,31)32/h3-7,12-16,33H,8-11H2,1-2H3,(H,35,37)
InChIKeyKMYMTZUICADAEG-UHFFFAOYSA-N
XLogP6.89
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.53
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
The IUPAC name of 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide (CID 70818271) is 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
The canonical SMILES for 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide is Cc1cc(-c2c(Oc3cccc(F)c3)cn3ccnc3c2NCCC(F)(F)F)ccc1C(=O)NC1(C)CC1.
What is the InChIKey of 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
The InChIKey is KMYMTZUICADAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4N4O2/c1-17-14-18(6-7-21(17)26(37)35-27(2)8-9-27)23-22(38-20-5-3-4-19(29)15-20)16-36-13-12-34-25(36)24(23)33-11-10-28(30,31)32/h3-7,12-16,33H,8-11H2,1-2H3,(H,35,37).
What are the key properties of 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide has a molecular weight of 526.53 g/mol, XLogP of 6.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-7-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 70818271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).