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

C27H25F3N4O2 — CID 66556140

IUPACN-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H25F3N4O2/c1-17-13-18(7-10-22(17)26(35)33-19-8-9-19)24-15-32-25-23(31-12-11-27(28,29)30)14-21(16-34(24)25)36-20-5-3-2-4-6-20/h2-7,10,13-16,19,31H,8-9,11-12H2,1H3,(H,33,35)
InChIKeyFPLQZXHIQCZNFB-UHFFFAOYSA-N
MW494.52 g/mol
LogP6.36
Rot. Bonds8

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

N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 66556140) has the molecular formula C27H25F3N4O2 and a molecular weight of 494.52 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID66556140
Molecular FormulaC27H25F3N4O2
Molecular Weight494.52 g/mol
Exact Mass494.19
IUPAC NameN-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H25F3N4O2/c1-17-13-18(7-10-22(17)26(35)33-19-8-9-19)24-15-32-25-23(31-12-11-27(28,29)30)14-21(16-34(24)25)36-20-5-3-2-4-6-20/h2-7,10,13-16,19,31H,8-9,11-12H2,1H3,(H,33,35)
InChIKeyFPLQZXHIQCZNFB-UHFFFAOYSA-N
XLogP6.36
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 66556140) is N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is FPLQZXHIQCZNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O2/c1-17-13-18(7-10-22(17)26(35)33-19-8-9-19)24-15-32-25-23(31-12-11-27(28,29)30)14-21(16-34(24)25)36-20-5-3-2-4-6-20/h2-7,10,13-16,19,31H,8-9,11-12H2,1H3,(H,33,35).
What are the key properties of N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 494.52 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 66556140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).