5-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine

C48H35F11N14O3 — CID 158015827

IUPAC5-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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)c2ccc(F)cn2)cn1.Cc1ccc(-n2c(-c3ccc(F)cn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C18H13F4N5O2.C18H11F4N5.C12H11F3N4O/c1-29-15-5-3-12(9-24-15)26-16-14(6-10(7-25-16)18(20,21)22)27-17(28)13-4-2-11(19)8-23-13;1-10-2-4-13(9-23-10)27-16-15(6-11(7-25-16)18(20,21)22)26-17(27)14-5-3-12(19)8-24-14;1-20-10-3-2-8(6-17-10)19-11-9(16)4-7(5-18-11)12(13,14)15/h2-9H,1H3,(H,25,26)(H,27,28);2-9H,1H3;2-6H,16H2,1H3,(H,18,19)
InChIKeyFFLGAHHGZFJQKT-UHFFFAOYSA-N
MW1064.88 g/mol
LogP11.21
Rot. Bonds10

About 5-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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 158015827) has the molecular formula C48H35F11N14O3 and a molecular weight of 1064.88 g/mol. Its IUPAC name is 5-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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 CID158015827
Molecular FormulaC48H35F11N14O3
Molecular Weight1064.88 g/mol
Exact Mass1064.28
IUPAC Name5-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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)c2ccc(F)cn2)cn1.Cc1ccc(-n2c(-c3ccc(F)cn3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C18H13F4N5O2.C18H11F4N5.C12H11F3N4O/c1-29-15-5-3-12(9-24-15)26-16-14(6-10(7-25-16)18(20,21)22)27-17(28)13-4-2-11(19)8-23-13;1-10-2-4-13(9-23-10)27-16-15(6-11(7-25-16)18(20,21)22)26-17(27)14-5-3-12(19)8-24-14;1-20-10-3-2-8(6-17-10)19-11-9(16)4-7(5-18-11)12(13,14)15/h2-9H,1H3,(H,25,26)(H,27,28);2-9H,1H3;2-6H,16H2,1H3,(H,18,19)
InChIKeyFFLGAHHGZFJQKT-UHFFFAOYSA-N
XLogP11.21
TPSA218.58 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001064.88
LogP ≤ 511.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 5-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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

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Launch Full Analysis

Related Compounds

4-(8-amino-3-((7R,9aS)-2-isonicotinoyl-4-oxooctahydro-1H-pyrido[1,2-a]pyrazin-7-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 77107252
7-cyclopentyl-N-(2-methoxyphenyl)-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 155908184
N-[4-(2,3-dimethylimidazo[1,2-a]pyridin-5-yl)-6-[2-(methylamino)propanoylamino]-2-pyridinyl]-5-methoxypyridine-2-carboxamide
CID 117902661
7-cyclopentyl-N-(3-methoxyphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 162646844
7-cyclopentyl-N-(4-methoxyphenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 162665138
N-(6-methoxy-3-pyridinyl)-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-11-carboxamide
CID 164614441
N-(6-methoxy-5-methyl-3-pyridinyl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 164625330
[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
US11098063, Example 75
CID 148932241
US10703755, Example 439
CID 155818258
(2-Methoxy-4-pyridinyl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 155922342

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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 158015827) is 5-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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)c2ccc(F)cn2)cn1.Cc1ccc(-n2c(-c3ccc(F)cn3)nc3cc(C(F)(F)F)cnc32)cn1.
What is the InChIKey of 5-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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 FFLGAHHGZFJQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N5O2.C18H11F4N5.C12H11F3N4O/c1-29-15-5-3-12(9-24-15)26-16-14(6-10(7-25-16)18(20,21)22)27-17(28)13-4-2-11(19)8-23-13;1-10-2-4-13(9-23-10)27-16-15(6-11(7-25-16)18(20,21)22)26-17(27)14-5-3-12(19)8-24-14;1-20-10-3-2-8(6-17-10)19-11-9(16)4-7(5-18-11)12(13,14)15/h2-9H,1H3,(H,25,26)(H,27,28);2-9H,1H3;2-6H,16H2,1H3,(H,18,19).
What are the key properties of 5-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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 1064.88 g/mol, XLogP of 11.21, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxamide;2-(5-fluoro-2-pyridinyl)-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 158015827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).