N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

C37H25BrF6N10 — CID 157771662

IUPACN-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCC1=CC=C(C=C1)NC2=NC(=NC=C2)C3=C(N=C4N3C=CC=C4)C(F)(F)F.C1=CC2=NC(=C(N2C=C1)C3=NC=CC(=N3)NC4=CC=C(C=C4)Br)C(F)(F)F
InChIInChI=1S/C19H14F3N5.C18H11BrF3N5/c1-12-5-7-13(8-6-12)24-14-9-10-23-18(25-14)16-17(19(20,21)22)26-15-4-2-3-11-27(15)16;19-11-4-6-12(7-5-11)24-13-8-9-23-17(25-13)15-16(18(20,21)22)26-14-3-1-2-10-27(14)15/h2-11H,1H3,(H,23,24,25);1-10H,(H,23,24,25)
InChIKeyDDHQZJFRIDQAQM-UHFFFAOYSA-N
MW803.60 g/mol
LogP—
Rot. Bonds6

About N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 157771662) has the molecular formula C37H25BrF6N10 and a molecular weight of 803.60 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
PubChem CID157771662
Molecular FormulaC37H25BrF6N10
Molecular Weight803.60 g/mol
Exact Mass802.14
IUPAC NameN-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCC1=CC=C(C=C1)NC2=NC(=NC=C2)C3=C(N=C4N3C=CC=C4)C(F)(F)F.C1=CC2=NC(=C(N2C=C1)C3=NC=CC(=N3)NC4=CC=C(C=C4)Br)C(F)(F)F
InChIInChI=1S/C19H14F3N5.C18H11BrF3N5/c1-12-5-7-13(8-6-12)24-14-9-10-23-18(25-14)16-17(19(20,21)22)26-15-4-2-3-11-27(15)16;19-11-4-6-12(7-5-11)24-13-8-9-23-17(25-13)15-16(18(20,21)22)26-14-3-1-2-10-27(14)15/h2-11H,1H3,(H,23,24,25);1-10H,(H,23,24,25)
InChIKeyDDHQZJFRIDQAQM-UHFFFAOYSA-N
XLogP—
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms54
Complexity994

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500803.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

US11420970, Example 198
CID 156073186
Cyclopentyl-{4-[2-(4-fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-amine
CID 9826083
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
4-[2-(3-Bromo-4-fluorophenyl)-7-dimethylaminomethylimidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamine
CID 24745379
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}pyridin-2-ylamine
CID 24745530
8-(4-methylcyclohexyl)-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 58299617
4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 44820213
8-(4-methylcyclohexyl)-N-(6-piperazin-1-yl-3-pyridinyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 90654461
N-[5-(4-aminopiperidin-1-yl)-2-pyridinyl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 90654463
N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 90654465
4-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 44820214
N-(4-methylphenyl)-4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 44820217

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 157771662) is N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is CC1=CC=C(C=C1)NC2=NC(=NC=C2)C3=C(N=C4N3C=CC=C4)C(F)(F)F.C1=CC2=NC(=C(N2C=C1)C3=NC=CC(=N3)NC4=CC=C(C=C4)Br)C(F)(F)F.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is DDHQZJFRIDQAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5.C18H11BrF3N5/c1-12-5-7-13(8-6-12)24-14-9-10-23-18(25-14)16-17(19(20,21)22)26-15-4-2-3-11-27(15)16;19-11-4-6-12(7-5-11)24-13-8-9-23-17(25-13)15-16(18(20,21)22)26-14-3-1-2-10-27(14)15/h2-11H,1H3,(H,23,24,25);1-10H,(H,23,24,25).
What are the key properties of N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 803.60 g/mol, XLogP of not available, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 157771662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).