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

C71H65F12N17O4Si — CID 157260840

IUPACbis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-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)c2cccn2COCC[Si](C)(C)C)cn1.Cc1ccc(-n2c(C3=CC=CC3)nc3cc(C(F)(F)F)cnc32)cn1.Cc1ccc(-n2c(C3=CC=CC3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C23H28F3N5O3Si.2C18H13F3N4.C12H11F3N4O/c1-33-20-8-7-17(14-27-20)29-21-18(12-16(13-28-21)23(24,25)26)30-22(32)19-6-5-9-31(19)15-34-10-11-35(2,3)4;2*1-11-6-7-14(10-22-11)25-16(12-4-2-3-5-12)24-15-8-13(18(19,20)21)9-23-17(15)25;1-20-10-3-2-8(6-17-10)19-11-9(16)4-7(5-18-11)12(13,14)15/h5-9,12-14H,10-11,15H2,1-4H3,(H,28,29)(H,30,32);2*2-4,6-10H,5H2,1H3;2-6H,16H2,1H3,(H,18,19)
InChIKeyAXKZDOJRCBLBCU-UHFFFAOYSA-N
MW1476.48 g/mol
LogP17.42
Rot. Bonds17

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

bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine (PubChem CID 157260840) has the molecular formula C71H65F12N17O4Si and a molecular weight of 1476.48 g/mol. Its IUPAC name is bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Namebis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine
PubChem CID157260840
Molecular FormulaC71H65F12N17O4Si
Molecular Weight1476.48 g/mol
Exact Mass1475.50
IUPAC Namebis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-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)c2cccn2COCC[Si](C)(C)C)cn1.Cc1ccc(-n2c(C3=CC=CC3)nc3cc(C(F)(F)F)cnc32)cn1.Cc1ccc(-n2c(C3=CC=CC3)nc3cc(C(F)(F)F)cnc32)cn1
InChIInChI=1S/C23H28F3N5O3Si.2C18H13F3N4.C12H11F3N4O/c1-33-20-8-7-17(14-27-20)29-21-18(12-16(13-28-21)23(24,25)26)30-22(32)19-6-5-9-31(19)15-34-10-11-35(2,3)4;2*1-11-6-7-14(10-22-11)25-16(12-4-2-3-5-12)24-15-8-13(18(19,20)21)9-23-17(15)25;1-20-10-3-2-8(6-17-10)19-11-9(16)4-7(5-18-11)12(13,14)15/h5-9,12-14H,10-11,15H2,1-4H3,(H,28,29)(H,30,32);2*2-4,6-10H,5H2,1H3;2-6H,16H2,1H3,(H,18,19)
InChIKeyAXKZDOJRCBLBCU-UHFFFAOYSA-N
XLogP17.42
TPSA250.56 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001476.48
LogP ≤ 517.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine with MolForge

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Related Compounds

N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide
CID 70847936
N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-6-methoxypyridine-2-carboxamide
CID 154655795
6-(difluoromethyl)-N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-4-[[6-[(6-methylpyridine-2-carbonyl)amino]-2-(oxan-4-yl)imidazo[1,2-a]pyridin-7-yl]methoxymethyl]pyridine-2-carboxamide
CID 155010164
6-(difluoromethyl)-4-[2-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(pyridin-2-yloxymethyl)imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-[(2-oxo-1-pyridinyl)methyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 155010166
[(3R)-3-[[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-(5-oxaspiro[3.4]octan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]-1-ethylpyrrolo[2,3-b]pyridin-6-yl]oxymethylamino]piperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(difluoromethoxy)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155131908
N-(6-methoxy-3-pyridinyl)-3-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyridin-2-amine;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine;3-(6-methyl-3-pyridinyl)-2-pyridin-2-yl-6-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 157593130
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
5-chloro-N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]pyrazine-2-carboxamide;2-(5-chloropyrazin-2-yl)-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine;2-(5-isocyanopyrazin-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 160007958
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
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
3-isocyano-N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;phenyl 3-isocyano-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxylate;5,5,5-trifluoro-1-[3-isocyano-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,7-dihydro-4H-pyrrolo[2,3-c]pyridin-1-yl]pentan-1-one;3,3,3-trifluoropropan-1-amine
CID 164956634
2-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-ylpyridine-3-carboxamide;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methoxy-6-piperazin-1-ylpyridine-3-carboxamide
CID 117775253

Frequently Asked Questions

What is the IUPAC name of bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The IUPAC name of bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine (CID 157260840) is bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine.
What is the SMILES notation for bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The canonical SMILES for bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-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)c2cccn2COCC[Si](C)(C)C)cn1.Cc1ccc(-n2c(C3=CC=CC3)nc3cc(C(F)(F)F)cnc32)cn1.Cc1ccc(-n2c(C3=CC=CC3)nc3cc(C(F)(F)F)cnc32)cn1.
What is the InChIKey of bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
The InChIKey is AXKZDOJRCBLBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N5O3Si.2C18H13F3N4.C12H11F3N4O/c1-33-20-8-7-17(14-27-20)29-21-18(12-16(13-28-21)23(24,25)26)30-22(32)19-6-5-9-31(19)15-34-10-11-35(2,3)4;2*1-11-6-7-14(10-22-11)25-16(12-4-2-3-5-12)24-15-8-13(18(19,20)21)9-23-17(15)25;1-20-10-3-2-8(6-17-10)19-11-9(16)4-7(5-18-11)12(13,14)15/h5-9,12-14H,10-11,15H2,1-4H3,(H,28,29)(H,30,32);2*2-4,6-10H,5H2,1H3;2-6H,16H2,1H3,(H,18,19).
What are the key properties of bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine?
bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine has a molecular weight of 1476.48 g/mol, XLogP of 17.42, 17 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclopenta-1,3-dien-1-yl-3-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)imidazo[4,5-b]pyridine);N-[2-[(6-methoxy-3-pyridinyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrole-2-carboxamide;2-N-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyridine-2,3-diamine is sourced from PubChem (CID 157260840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).