5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine

C63H43Cl3F12N22O3 — CID 161499576

IUPAC5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);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)c2cnc(Cl)cn2)cn1.Cc1ccc(-n2c(-c3cnc(Cl)cn3)nc3cc(C(F)(F)F)cnc32)cn1.Cc1ccc(-n2c(-c3cnc(Cl)cn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C17H12ClF3N6O2.2C17H10ClF3N6.C12H11F3N4O/c1-29-14-3-2-10(6-24-14)26-15-11(4-9(5-25-15)17(19,20)21)27-16(28)12-7-23-13(18)8-22-12;2*1-9-2-3-11(6-22-9)27-15-12(4-10(5-25-15)17(19,20)21)26-16(27)13-7-24-14(18)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/h2-8H,1H3,(H,25,26)(H,27,28);2*2-8H,1H3;2-6H,16H2,1H3,(H,18,19)
InChIKeyWGQVYJKKCLDFRI-UHFFFAOYSA-N
MW1490.52 g/mol
LogP15.28
Rot. Bonds12

About 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine

5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 161499576) has the molecular formula C63H43Cl3F12N22O3 and a molecular weight of 1490.52 g/mol. Its IUPAC name is 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID161499576
Molecular FormulaC63H43Cl3F12N22O3
Molecular Weight1490.52 g/mol
Exact Mass1488.28
IUPAC Name5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);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)c2cnc(Cl)cn2)cn1.Cc1ccc(-n2c(-c3cnc(Cl)cn3)nc3cc(C(F)(F)F)cnc32)cn1.Cc1ccc(-n2c(-c3cnc(Cl)cn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C17H12ClF3N6O2.2C17H10ClF3N6.C12H11F3N4O/c1-29-14-3-2-10(6-24-14)26-15-11(4-9(5-25-15)17(19,20)21)27-16(28)12-7-23-13(18)8-22-12;2*1-9-2-3-11(6-22-9)27-15-12(4-10(5-25-15)17(19,20)21)26-16(27)13-7-24-14(18)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/h2-8H,1H3,(H,25,26)(H,27,28);2*2-8H,1H3;2-6H,16H2,1H3,(H,18,19)
InChIKeyWGQVYJKKCLDFRI-UHFFFAOYSA-N
XLogP15.28
TPSA313.74 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001490.52
LogP ≤ 515.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);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

[7-[1-[(6-Methoxypyridin-3-yl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 86581758
[6-[1-[(6-Methoxypyridin-3-yl)methyl]piperidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118397117
6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridyl]piperazin-1-yl]-3-fluoro-phenyl]methyl]-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163202158
6-chloro-N-[[4-[(2R,5S)-2,5-dimethyl-4-[6-(2,2,2-trifluoroethoxy)-3-pyridyl]piperazin-1-yl]-3-fluoro-phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide;hydrochloride
CID 163202426
4-[3-Chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-1-(6-methoxypyridin-3-yl)piperazin-2-one
CID 67085248
6-[3-(6-Methoxypyridin-3-yl)-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]pyridine-3-carboxamide
CID 70848040
5-chloro-N-[2-[(6-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyridin-3-yl]pyrazine-2-carboxamide
CID 88936856
[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 118553275
[3-[[9-Ethyl-8-(5-fluoro-6-methoxy-3-pyridinyl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 121483546
[(3S)-3-[[9-ethyl-8-(5-fluoro-6-methoxy-3-pyridinyl)purin-6-yl]amino]pyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 121483654
N-[2-[3-[(6-methoxy-2-pyridinyl)carbamoyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-1-yl]-4-pyridinyl]-1-[2-methyl-6-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]-4-pyridinyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-1-ium-3-carboxamide
CID 123473923
2-methoxy-N-pyridin-4-yl-4-(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridine-8-carboxamide
CID 142297980

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine (CID 161499576) is 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);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)c2cnc(Cl)cn2)cn1.Cc1ccc(-n2c(-c3cnc(Cl)cn3)nc3cc(C(F)(F)F)cnc32)cn1.Cc1ccc(-n2c(-c3cnc(Cl)cn3)nc3cc(C(F)(F)F)cnc32)cn1.
What is the InChIKey of 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is WGQVYJKKCLDFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O2.2C17H10ClF3N6.C12H11F3N4O/c1-29-14-3-2-10(6-24-14)26-15-11(4-9(5-25-15)17(19,20)21)27-16(28)12-7-23-13(18)8-22-12;2*1-9-2-3-11(6-22-9)27-15-12(4-10(5-25-15)17(19,20)21)26-16(27)13-7-24-14(18)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/h2-8H,1H3,(H,25,26)(H,27,28);2*2-8H,1H3;2-6H,16H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 1490.52 g/mol, XLogP of 15.28, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;bis(2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 161499576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).