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

C30H31F3N4O2 — CID 123541385

IUPAC4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(C)c4C)cn23)ccc1C(=O)NC1(C)CC1
InChIInChI=1S/C30H31F3N4O2/c1-18-6-5-7-26(20(18)3)39-22-15-24(34-13-12-30(31,32)33)27-35-16-25(37(27)17-22)21-8-9-23(19(2)14-21)28(38)36-29(4)10-11-29/h5-9,14-17,34H,10-13H2,1-4H3,(H,36,38)
InChIKeyACNRMBXJIUPFCE-UHFFFAOYSA-N
MW536.60 g/mol
LogP7.37
Rot. Bonds8

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

4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide (PubChem CID 123541385) has the molecular formula C30H31F3N4O2 and a molecular weight of 536.60 g/mol. Its IUPAC name is 4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
PubChem CID123541385
Molecular FormulaC30H31F3N4O2
Molecular Weight536.60 g/mol
Exact Mass536.24
IUPAC Name4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(C)c4C)cn23)ccc1C(=O)NC1(C)CC1
InChIInChI=1S/C30H31F3N4O2/c1-18-6-5-7-26(20(18)3)39-22-15-24(34-13-12-30(31,32)33)27-35-16-25(37(27)17-22)21-8-9-23(19(2)14-21)28(38)36-29(4)10-11-29/h5-9,14-17,34H,10-13H2,1-4H3,(H,36,38)
InChIKeyACNRMBXJIUPFCE-UHFFFAOYSA-N
XLogP7.37
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.60
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide with MolForge

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Related Compounds

Bay-1217389
CID 78320750
NG-25
CID 53340664
N-cyclopropyl-2-methyl-4-[6-phenoxy-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 57383132
8-Methoxy-6-(7-(2-morpholinoethoxy)imidazo[1,2-a]pyridin-3-yl)-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1(2H)-one
CID 146273261
PF-03716556
CID 25134521
2,3-Dimethyl-N,9-diphenyl-8,9-dihydro-7H-imidazo[1,2-a]pyrano[2,3-c]pyridine-6-carboxamide
CID 23730398
N-(4-ethoxyphenyl)-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraene-8-carboxamide
CID 23731292
3-[2-(Imidazo[1,2-a]pyridin-3-yl)ethynyl]-4-methyl-N-{4-[(1-methyl-4-piperidinyl)oxy]-3-(trifluoromethyl)phenyl}benzamide
CID 24826656
1-(8-(2,6-dimethylbenzyloxy)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one
CID 44583667
N-(2-cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(5-methoxy-2-pyridyl)benzamide
CID 45273642
N-(2-hydroxyethyl)-3-[8-(4-methoxyanilino)imidazo[1,2-a]pyrazin-3-yl]benzamide
CID 46240955
N-[3-(3-acetylphenyl)-6-[2-methoxy-phenyl)imidazo [1,2-a]pyridin-8-yl]acetamide
CID 49789743

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
The IUPAC name of 4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide (CID 123541385) is 4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for 4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
The canonical SMILES for 4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide is Cc1cc(-c2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(C)c4C)cn23)ccc1C(=O)NC1(C)CC1.
What is the InChIKey of 4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
The InChIKey is ACNRMBXJIUPFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N4O2/c1-18-6-5-7-26(20(18)3)39-22-15-24(34-13-12-30(31,32)33)27-35-16-25(37(27)17-22)21-8-9-23(19(2)14-21)28(38)36-29(4)10-11-29/h5-9,14-17,34H,10-13H2,1-4H3,(H,36,38).
What are the key properties of 4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide?
4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide has a molecular weight of 536.60 g/mol, XLogP of 7.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 123541385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).