4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide

C27H24ClF3N4O2 — CID 66556138

IUPAC4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(Cl)c4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H24ClF3N4O2/c1-16-11-17(5-8-22(16)26(36)34-19-6-7-19)24-14-33-25-23(32-10-9-27(29,30)31)13-21(15-35(24)25)37-20-4-2-3-18(28)12-20/h2-5,8,11-15,19,32H,6-7,9-10H2,1H3,(H,34,36)
InChIKeySWEOFWQDGCHTNF-UHFFFAOYSA-N
MW528.96 g/mol
LogP7.01
Rot. Bonds8

About 4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide

4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide (PubChem CID 66556138) has the molecular formula C27H24ClF3N4O2 and a molecular weight of 528.96 g/mol. Its IUPAC name is 4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide.

Molecular Properties

Compound Name4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide
PubChem CID66556138
Molecular FormulaC27H24ClF3N4O2
Molecular Weight528.96 g/mol
Exact Mass528.15
IUPAC Name4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(Cl)c4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H24ClF3N4O2/c1-16-11-17(5-8-22(16)26(36)34-19-6-7-19)24-14-33-25-23(32-10-9-27(29,30)31)13-21(15-35(24)25)37-20-4-2-3-18(28)12-20/h2-5,8,11-15,19,32H,6-7,9-10H2,1H3,(H,34,36)
InChIKeySWEOFWQDGCHTNF-UHFFFAOYSA-N
XLogP7.01
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.96
LogP ≤ 57.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The IUPAC name of 4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide (CID 66556138) is 4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide.
What is the SMILES notation for 4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The canonical SMILES for 4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(Cl)c4)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of 4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide?
The InChIKey is SWEOFWQDGCHTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF3N4O2/c1-16-11-17(5-8-22(16)26(36)34-19-6-7-19)24-14-33-25-23(32-10-9-27(29,30)31)13-21(15-35(24)25)37-20-4-2-3-18(28)12-20/h2-5,8,11-15,19,32H,6-7,9-10H2,1H3,(H,34,36).
What are the key properties of 4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide?
4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide has a molecular weight of 528.96 g/mol, XLogP of 7.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-chlorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-cyclopropyl-2-methylbenzamide is sourced from PubChem (CID 66556138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).