6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C42H33F5N10O — CID 118094917

IUPAC6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cncc(-c3cccc4nc(C5CC5)cn34)n2)cc1.FC(F)Oc1ccc(Nc2cncc(-c3cccc4nc(C5CC5)cn34)n2)cc1
InChIInChI=1S/C21H16F3N5.C21H17F2N5O/c22-21(23,24)14-6-8-15(9-7-14)26-19-11-25-10-16(27-19)18-2-1-3-20-28-17(12-29(18)20)13-4-5-13;22-21(23)29-15-8-6-14(7-9-15)25-19-11-24-10-16(26-19)18-2-1-3-20-27-17(12-28(18)20)13-4-5-13/h1-3,6-13H,4-5H2,(H,26,27);1-3,6-13,21H,4-5H2,(H,25,26)
InChIKeyDUYYJOKLVHZHSZ-UHFFFAOYSA-N
MW788.79 g/mol
LogP10.44
Rot. Bonds10

About 6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 118094917) has the molecular formula C42H33F5N10O and a molecular weight of 788.79 g/mol. Its IUPAC name is 6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID118094917
Molecular FormulaC42H33F5N10O
Molecular Weight788.79 g/mol
Exact Mass788.28
IUPAC Name6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESFC(F)(F)c1ccc(Nc2cncc(-c3cccc4nc(C5CC5)cn34)n2)cc1.FC(F)Oc1ccc(Nc2cncc(-c3cccc4nc(C5CC5)cn34)n2)cc1
InChIInChI=1S/C21H16F3N5.C21H17F2N5O/c22-21(23,24)14-6-8-15(9-7-14)26-19-11-25-10-16(27-19)18-2-1-3-20-28-17(12-29(18)20)13-4-5-13;22-21(23)29-15-8-6-14(7-9-15)25-19-11-24-10-16(26-19)18-2-1-3-20-27-17(12-28(18)20)13-4-5-13/h1-3,6-13H,4-5H2,(H,26,27);1-3,6-13,21H,4-5H2,(H,25,26)
InChIKeyDUYYJOKLVHZHSZ-UHFFFAOYSA-N
XLogP10.44
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500788.79
LogP ≤ 510.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine with MolForge

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Related Compounds

3-methyl-2-(((1R,5S)-6-((4-(trifluoromethyl)phenoxy)methyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-3H-imidazo[4,5-b]pyridine
CID 25050849
1-methyl-2-(((1R,5S)-6-((4-(trifluoromethyl)phenoxy)methyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-1H-imidazo[4,5-b]pyridine
CID 25051025
4-N-[1-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-5-(trifluoromethyl)phenyl]imidazol-2-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 49798076
4-N-[1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]imidazol-2-yl]-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 49798077
8-(4-methoxyphenyl)-N-(5-piperazin-1-yl-2-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58300153
US11420970, Example 207
CID 156073154
US11420970, Example 178
CID 156073160
US11420970, Example 235
CID 156073472
N-(4-methoxyphenyl)-6-methyl-2-(pyridin-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 7338729
N-(4-methoxyphenyl)-6-(pyridin-3-yl)imidazo[1,2-a]pyrazin-8-amine
CID 52944937
6-(3-aminophenyl)-N-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 52949491
1-benzyl-2-N-methyl-6-N-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
CID 155556439

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 118094917) is 6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is FC(F)(F)c1ccc(Nc2cncc(-c3cccc4nc(C5CC5)cn34)n2)cc1.FC(F)Oc1ccc(Nc2cncc(-c3cccc4nc(C5CC5)cn34)n2)cc1.
What is the InChIKey of 6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is DUYYJOKLVHZHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5.C21H17F2N5O/c22-21(23,24)14-6-8-15(9-7-14)26-19-11-25-10-16(27-19)18-2-1-3-20-28-17(12-29(18)20)13-4-5-13;22-21(23)29-15-8-6-14(7-9-15)25-19-11-24-10-16(26-19)18-2-1-3-20-27-17(12-28(18)20)13-4-5-13/h1-3,6-13H,4-5H2,(H,26,27);1-3,6-13,21H,4-5H2,(H,25,26).
What are the key properties of 6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 788.79 g/mol, XLogP of 10.44, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropylimidazo[1,2-a]pyridin-5-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118094917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).