2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

C37H29F6N13O — CID 158639972

IUPAC2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCN(C)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cn1.COc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cn1
InChIInChI=1S/C19H16F3N7.C18H13F3N6O/c1-28(2)14-7-6-12(11-24-14)25-13-8-9-23-18(26-13)16-17(19(20,21)22)27-15-5-3-4-10-29(15)16;1-28-14-6-5-11(10-23-14)24-12-7-8-22-17(25-12)15-16(18(19,20)21)26-13-4-2-3-9-27(13)15/h3-11H,1-2H3,(H,23,25,26);2-10H,1H3,(H,22,24,25)
InChIKeyIAGGHYWXMDHTHJ-UHFFFAOYSA-N
MW785.72 g/mol
LogP7.97
Rot. Bonds8

About 2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine

2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 158639972) has the molecular formula C37H29F6N13O and a molecular weight of 785.72 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
PubChem CID158639972
Molecular FormulaC37H29F6N13O
Molecular Weight785.72 g/mol
Exact Mass785.25
IUPAC Name2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCN(C)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cn1.COc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cn1
InChIInChI=1S/C19H16F3N7.C18H13F3N6O/c1-28(2)14-7-6-12(11-24-14)25-13-8-9-23-18(26-13)16-17(19(20,21)22)27-15-5-3-4-10-29(15)16;1-28-14-6-5-11(10-23-14)24-12-7-8-22-17(25-12)15-16(18(19,20)21)26-13-4-2-3-9-27(13)15/h3-11H,1-2H3,(H,23,25,26);2-10H,1H3,(H,22,24,25)
InChIKeyIAGGHYWXMDHTHJ-UHFFFAOYSA-N
XLogP7.97
TPSA148.47 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500785.72
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-N-(2-fluorophenyl)-2-N-(4-methoxyphenyl)-9-phenylpurine-2,8-diamine
CID 24810995
12-Methoxy-5,7-dimethyl-3-pyridin-3-yl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42629350
2-Methoxy-6,7-dimethyl-9-pyrimidin-5-ylimidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 42629821
6-[6-(6-methoxy-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-N-piperidin-4-ylpyridin-2-amine
CID 44449000
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(6-methoxypyridin-3-yl)imidazo[1,2-a]pyridin-2-amine
CID 49835106
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxypyridin-3-yl)imidazo[1,2-a]pyridin-2-amine
CID 49835108
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(5-fluoro-6-methoxy-3-pyridinyl)-6-[4-(2-methoxyethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-2-amine
CID 49835172
12-Methoxy-5,7-dimethyl-3-(1-methylpyrrol-2-yl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 56648588
12-Methoxy-5,7-dimethyl-3-(6-methyl-3-pyridinyl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 56648682
6-(3-(6-Methoxypyridin-3-ylamino)pyrazin-2-yl)-2-methylpyrimidin-4-amine
CID 59548402
N-[(1S)-1-[3-(3,5-difluorophenyl)-5-methoxyimidazo[4,5-b]pyridin-2-yl]ethyl]-7H-purin-6-amine
CID 66575655
4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 66788776

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine (CID 158639972) is 2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is CN(C)c1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cn1.COc1ccc(Nc2ccnc(-c3c(C(F)(F)F)nc4ccccn34)n2)cn1.
What is the InChIKey of 2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is IAGGHYWXMDHTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7.C18H13F3N6O/c1-28(2)14-7-6-12(11-24-14)25-13-8-9-23-18(26-13)16-17(19(20,21)22)27-15-5-3-4-10-29(15)16;1-28-14-6-5-11(10-23-14)24-12-7-8-22-17(25-12)15-16(18(19,20)21)26-13-4-2-3-9-27(13)15/h3-11H,1-2H3,(H,23,25,26);2-10H,1H3,(H,22,24,25).
What are the key properties of 2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine?
2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 785.72 g/mol, XLogP of 7.97, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxy-3-pyridinyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 158639972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).