2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine

C45H36F9N15O3 — CID 161352396

IUPAC2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOc1ccc(Nc2ncc(C(F)(F)F)cc2N)cn1.COc1ccc(Nc2ncc(C(F)(F)F)cc2NC(=O)C2=CCC=N2)cn1.Cc1ccc(-n2c(-c3cnc[nH]3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C17H14F3N5O2.C16H11F3N6.C12H11F3N4O/c1-27-14-5-4-11(9-22-14)24-15-13(7-10(8-23-15)17(18,19)20)25-16(26)12-3-2-6-21-12;1-9-2-3-11(6-21-9)25-14-12(4-10(5-22-14)16(17,18)19)24-15(25)13-7-20-8-23-13;1-20-10-3-2-8(6-17-10)19-11-9(16)4-7(5-18-11)12(13,14)15/h3-9H,2H2,1H3,(H,23,24)(H,25,26);2-8H,1H3,(H,20,23);2-6H,16H2,1H3,(H,18,19)
InChIKeyVOCAYYUAGVMUOJ-UHFFFAOYSA-N
MW1005.87 g/mol
LogP9.91
Rot. Bonds10

About 2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine

2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 161352396) has the molecular formula C45H36F9N15O3 and a molecular weight of 1005.87 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID161352396
Molecular FormulaC45H36F9N15O3
Molecular Weight1005.87 g/mol
Exact Mass1005.30
IUPAC Name2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine
SMILESCOc1ccc(Nc2ncc(C(F)(F)F)cc2N)cn1.COc1ccc(Nc2ncc(C(F)(F)F)cc2NC(=O)C2=CCC=N2)cn1.Cc1ccc(-n2c(-c3cnc[nH]3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C17H14F3N5O2.C16H11F3N6.C12H11F3N4O/c1-27-14-5-4-11(9-22-14)24-15-13(7-10(8-23-15)17(18,19)20)25-16(26)12-3-2-6-21-12;1-9-2-3-11(6-21-9)25-14-12(4-10(5-22-14)16(17,18)19)24-15(25)13-7-20-8-23-13;1-20-10-3-2-8(6-17-10)19-11-9(16)4-7(5-18-11)12(13,14)15/h3-9H,2H2,1H3,(H,23,24)(H,25,26);2-8H,1H3,(H,20,23);2-6H,16H2,1H3,(H,18,19)
InChIKeyVOCAYYUAGVMUOJ-UHFFFAOYSA-N
XLogP9.91
TPSA233.84 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001005.87
LogP ≤ 59.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Analyze 2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine 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

1-[(3S)-3-[[8-(6-methoxy-3-pyridinyl)-9-methylpurin-6-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 90168833
12-methoxy-N-[3-[4-[3-[(12-methoxy-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)amino]propyl]piperazin-1-yl]propyl]-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
CID 11284804
1-[4-[[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-[6-(methylamino)pyrazin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidin-1-yl]prop-2-en-1-one
CID 155529935
n-(6-Methoxypyridin-3-yl)-3-(2-methyl-9h-purin-6-yl)-5-((phenylamino)methyl)pyridin-2-amine
CID 49784897
N-(6-methoxy-3-pyridinyl)-3-(2-methyl-7H-purin-6-yl)-5-[(pyridin-4-ylamino)methyl]pyridin-2-amine
CID 49784986
N2-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)-N5-phenylpyridine-2,5-diamine
CID 49785080
N-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)-5-((pyridin-2-ylamino)methyl)pyridin-2-amine
CID 49785250
N5-ethyl-N2-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)pyridine-2,5-diamine
CID 49785342
4-[[6-[(6-methoxy-3-pyridinyl)amino]-5-(2-methyl-7H-purin-6-yl)-3-pyridinyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 49786100
1-(4-((6-(6-methoxypyridin-3-ylamino)-5-(2-methyl-9H-purin-6-yl)pyridin-3-yl)methyl)piperazin-1-yl)ethanone
CID 49786101
N-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)-5-((pyridin-4-ylmethylamino)methyl)pyridin-2-amine
CID 59548163
N-(6-methoxypyridin-3-yl)-3-(2-methyl-9H-purin-6-yl)-5-((pyridin-3-ylmethylamino)methyl)pyridin-2-amine
CID 59548223

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine (CID 161352396) is 2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine is COc1ccc(Nc2ncc(C(F)(F)F)cc2N)cn1.COc1ccc(Nc2ncc(C(F)(F)F)cc2NC(=O)C2=CCC=N2)cn1.Cc1ccc(-n2c(-c3cnc[nH]3)nc3cc(C(F)(F)F)cnc32)cn1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is VOCAYYUAGVMUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2.C16H11F3N6.C12H11F3N4O/c1-27-14-5-4-11(9-22-14)24-15-13(7-10(8-23-15)17(18,19)20)25-16(26)12-3-2-6-21-12;1-9-2-3-11(6-21-9)25-14-12(4-10(5-22-14)16(17,18)19)24-15(25)13-7-20-8-23-13;1-20-10-3-2-8(6-17-10)19-11-9(16)4-7(5-18-11)12(13,14)15/h3-9H,2H2,1H3,(H,23,24)(H,25,26);2-8H,1H3,(H,20,23);2-6H,16H2,1H3,(H,18,19).
What are the key properties of 2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 1005.87 g/mol, XLogP of 9.91, 10 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-3H-pyrrole-5-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 161352396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).