N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide

C29H30F3N5O2 — CID 66556315

IUPACN,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCNC(=O)c1ccc(-c2cc(N(C)CCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC)c(C)c4)n3c2)cc1C
InChIInChI=1S/C29H30F3N5O2/c1-17-12-19(6-8-22(17)27(38)33-3)21-14-24(36(5)11-10-29(30,31)32)26-35-15-25(37(26)16-21)20-7-9-23(18(2)13-20)28(39)34-4/h6-9,12-16H,10-11H2,1-5H3,(H,33,38)(H,34,39)
InChIKeyJWGOQVKYTJVCTF-UHFFFAOYSA-N
MW537.59 g/mol
LogP5.39
Rot. Bonds7

About N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide

N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide (PubChem CID 66556315) has the molecular formula C29H30F3N5O2 and a molecular weight of 537.59 g/mol. Its IUPAC name is N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound NameN,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide
PubChem CID66556315
Molecular FormulaC29H30F3N5O2
Molecular Weight537.59 g/mol
Exact Mass537.24
IUPAC NameN,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCNC(=O)c1ccc(-c2cc(N(C)CCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC)c(C)c4)n3c2)cc1C
InChIInChI=1S/C29H30F3N5O2/c1-17-12-19(6-8-22(17)27(38)33-3)21-14-24(36(5)11-10-29(30,31)32)26-35-15-25(37(26)16-21)20-7-9-23(18(2)13-20)28(39)34-4/h6-9,12-16H,10-11H2,1-5H3,(H,33,38)(H,34,39)
InChIKeyJWGOQVKYTJVCTF-UHFFFAOYSA-N
XLogP5.39
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.59
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide?
The IUPAC name of N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide (CID 66556315) is N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide.
What is the SMILES notation for N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide?
The canonical SMILES for N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide is CNC(=O)c1ccc(-c2cc(N(C)CCC(F)(F)F)c3ncc(-c4ccc(C(=O)NC)c(C)c4)n3c2)cc1C.
What is the InChIKey of N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide?
The InChIKey is JWGOQVKYTJVCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N5O2/c1-17-12-19(6-8-22(17)27(38)33-3)21-14-24(36(5)11-10-29(30,31)32)26-35-15-25(37(26)16-21)20-7-9-23(18(2)13-20)28(39)34-4/h6-9,12-16H,10-11H2,1-5H3,(H,33,38)(H,34,39).
What are the key properties of N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide?
N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide has a molecular weight of 537.59 g/mol, XLogP of 5.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-[methyl(3,3,3-trifluoropropyl)amino]imidazo[1,2-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 66556315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).