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

C24H22F3N5O — CID 66554950

IUPACN,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccncc4)cn23)cc1C
InChIInChI=1S/C24H22F3N5O/c1-15-11-17(3-4-19(15)23(33)28-2)21-13-31-22-20(30-10-7-24(25,26)27)12-18(14-32(21)22)16-5-8-29-9-6-16/h3-6,8-9,11-14,30H,7,10H2,1-2H3,(H,28,33)
InChIKeyPNGYQFZCBOCIAT-UHFFFAOYSA-N
MW453.47 g/mol
LogP5.10
Rot. Bonds6

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

N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 66554950) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID66554950
Molecular FormulaC24H22F3N5O
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC NameN,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccncc4)cn23)cc1C
InChIInChI=1S/C24H22F3N5O/c1-15-11-17(3-4-19(15)23(33)28-2)21-13-31-22-20(30-10-7-24(25,26)27)12-18(14-32(21)22)16-5-8-29-9-6-16/h3-6,8-9,11-14,30H,7,10H2,1-2H3,(H,28,33)
InChIKeyPNGYQFZCBOCIAT-UHFFFAOYSA-N
XLogP5.10
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.47
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide 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,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 66554950) is N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is CNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)cc(-c4ccncc4)cn23)cc1C.
What is the InChIKey of N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is PNGYQFZCBOCIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-15-11-17(3-4-19(15)23(33)28-2)21-13-31-22-20(30-10-7-24(25,26)27)12-18(14-32(21)22)16-5-8-29-9-6-16/h3-6,8-9,11-14,30H,7,10H2,1-2H3,(H,28,33).
What are the key properties of N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide?
N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 453.47 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[6-pyridin-4-yl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 66554950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).