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

C27H23F5N4O2 — CID 66556137

IUPACN-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H23F5N4O2/c1-15-11-16(5-8-19(15)26(37)35-17-6-7-17)22-13-34-25-21(33-10-9-27(30,31)32)12-18(14-36(22)25)38-23-4-2-3-20(28)24(23)29/h2-5,8,11-14,17,33H,6-7,9-10H2,1H3,(H,35,37)
InChIKeyOJHQWBYKHLNBGT-UHFFFAOYSA-N
MW530.50 g/mol
LogP6.64
Rot. Bonds8

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

N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (PubChem CID 66556137) has the molecular formula C27H23F5N4O2 and a molecular weight of 530.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
PubChem CID66556137
Molecular FormulaC27H23F5N4O2
Molecular Weight530.50 g/mol
Exact Mass530.17
IUPAC NameN-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)ccc1C(=O)NC1CC1
InChIInChI=1S/C27H23F5N4O2/c1-15-11-16(5-8-19(15)26(37)35-17-6-7-17)22-13-34-25-21(33-10-9-27(30,31)32)12-18(14-36(22)25)38-23-4-2-3-20(28)24(23)29/h2-5,8,11-14,17,33H,6-7,9-10H2,1H3,(H,35,37)
InChIKeyOJHQWBYKHLNBGT-UHFFFAOYSA-N
XLogP6.64
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.50
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide (CID 66556137) is N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cn23)ccc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
The InChIKey is OJHQWBYKHLNBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F5N4O2/c1-15-11-16(5-8-19(15)26(37)35-17-6-7-17)22-13-34-25-21(33-10-9-27(30,31)32)12-18(14-36(22)25)38-23-4-2-3-20(28)24(23)29/h2-5,8,11-14,17,33H,6-7,9-10H2,1H3,(H,35,37).
What are the key properties of N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide has a molecular weight of 530.50 g/mol, XLogP of 6.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 66556137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).