2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

C38H23Br2F9N10O — CID 162144012

IUPAC2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccc(Br)cn34)n2)cc1.FC(F)(F)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccc(Br)cn34)n2)cc1
InChIInChI=1S/C19H10BrF6N5.C19H13BrF3N5O/c20-11-3-6-14-30-16(19(24,25)26)15(31(14)9-11)17-27-8-7-13(29-17)28-12-4-1-10(2-5-12)18(21,22)23;1-29-13-5-3-12(4-6-13)25-14-8-9-24-18(26-14)16-17(19(21,22)23)27-15-7-2-11(20)10-28(15)16/h1-9H,(H,27,28,29);2-10H,1H3,(H,24,25,26)
InChIKeyZKHPCWAZSUNVKA-UHFFFAOYSA-N
MW966.46 g/mol
LogP11.66
Rot. Bonds7

About 2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine

2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (PubChem CID 162144012) has the molecular formula C38H23Br2F9N10O and a molecular weight of 966.46 g/mol. Its IUPAC name is 2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
PubChem CID162144012
Molecular FormulaC38H23Br2F9N10O
Molecular Weight966.46 g/mol
Exact Mass964.03
IUPAC Name2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccc(Br)cn34)n2)cc1.FC(F)(F)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccc(Br)cn34)n2)cc1
InChIInChI=1S/C19H10BrF6N5.C19H13BrF3N5O/c20-11-3-6-14-30-16(19(24,25)26)15(31(14)9-11)17-27-8-7-13(29-17)28-12-4-1-10(2-5-12)18(21,22)23;1-29-13-5-3-12(4-6-13)25-14-8-9-24-18(26-14)16-17(19(21,22)23)27-15-7-2-11(20)10-28(15)16/h1-9H,(H,27,28,29);2-10H,1H3,(H,24,25,26)
InChIKeyZKHPCWAZSUNVKA-UHFFFAOYSA-N
XLogP11.66
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500966.46
LogP ≤ 511.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-3-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866784
6-Bromo-2-(4-methoxyphenyl)-7-(4-(pyrimidin-5-ylmethyl)piperazin-1-yl)-3Himidazo[4,5-b]pyridine
CID 46866785
6-Bromo-2-(4-methoxyphenyl)-7-(4-((1-methyl-1H-imidazol-2-yl)methyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46866895
6-bromo-2-(4-methoxyphenyl)-7-(4-(pyridin-4-ylmethyl)piperazin-1-yl)-3H-imidazo[4,5-b]pyridine
CID 46868651
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
6-bromo-N-(4-methoxyphenyl)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
CID 154620336
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
1-benzyl-2-N-methyl-6-N-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
CID 155556439
2-N-benzyl-1-methyl-6-N-[4-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridine-2,6-diamine
CID 155556762

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine (CID 162144012) is 2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is COc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccc(Br)cn34)n2)cc1.FC(F)(F)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccc(Br)cn34)n2)cc1.
What is the InChIKey of 2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
The InChIKey is ZKHPCWAZSUNVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrF6N5.C19H13BrF3N5O/c20-11-3-6-14-30-16(19(24,25)26)15(31(14)9-11)17-27-8-7-13(29-17)28-12-4-1-10(2-5-12)18(21,22)23;1-29-13-5-3-12(4-6-13)25-14-8-9-24-18(26-14)16-17(19(21,22)23)27-15-7-2-11(20)10-28(15)16/h1-9H,(H,27,28,29);2-10H,1H3,(H,24,25,26).
What are the key properties of 2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine?
2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine has a molecular weight of 966.46 g/mol, XLogP of 11.66, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine;2-[6-bromo-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 162144012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).