5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline

C104H115Cl2F5N20O13 — CID 157396688

IUPAC5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline
SMILESC.C.CC1CN(C(=O)C2=CC=CC2)Cc2c(C(=O)O)nn(Cc3ccc(F)c(C#N)c3)c21.CCOC(=O)c1nn(Cc2ccc(F)c(C#N)c2)c2c1CN(C(=O)C1=CC=CC1)CC2C.Cc1cccc(N)c1.O=C(Cl)C1=CC=CC1.[2H]CF.[C-]#[N+]c1cc(Cn2nc(C(=O)OCC)c3c2C(C)CCC3)ccc1F.[C-]#[N+]c1cc(Cn2nc(C(=O)OCC)c3c2C(C)CN(C(=O)OC(C)(C)C)C3)ccc1F.[H]/N=N/N=NCl
InChIInChI=1S/C24H23FN4O3.C23H27FN4O4.C22H19FN4O3.C19H20FN3O2.C7H9N.C6H5ClO.CH3F.2CH4.ClHN4/c1-3-32-24(31)21-19-14-28(23(30)17-6-4-5-7-17)12-15(2)22(19)29(27-21)13-16-8-9-20(25)18(10-16)11-26;1-7-31-21(29)19-16-13-27(22(30)32-23(3,4)5)11-14(2)20(16)28(26-19)12-15-8-9-17(24)18(10-15)25-6;1-13-10-26(21(28)15-4-2-3-5-15)12-17-19(22(29)30)25-27(20(13)17)11-14-6-7-18(23)16(8-14)9-24;1-4-25-19(24)17-14-7-5-6-12(2)18(14)23(22-17)11-13-8-9-15(20)16(10-13)21-3;1-6-3-2-4-7(8)5-6;7-6(8)5-3-1-2-4-5;1-2;;;1-3-5-4-2/h4-6,8-10,15H,3,7,12-14H2,1-2H3;8-10,14H,7,11-13H2,1-5H3;2-4,6-8,13H,5,10-12H2,1H3,(H,29,30);8-10,12H,4-7,11H2,1-2H3;2-5H,8H2,1H3;1-3H,4H2;1H3;2*1H4;2H/b;;;;;;;;;4-2+,5-3?/i;;;;;;1D;;;
InChIKeyBMQOPJCCICVGGY-GRWZZNCNSA-N
MW2020.09 g/mol
LogP21.92
Rot. Bonds19

About 5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline

5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline (PubChem CID 157396688) has the molecular formula C104H115Cl2F5N20O13 and a molecular weight of 2020.09 g/mol. Its IUPAC name is 5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline.

Molecular Properties

Compound Name5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline
PubChem CID157396688
Molecular FormulaC104H115Cl2F5N20O13
Molecular Weight2020.09 g/mol
Exact Mass2017.83
IUPAC Name5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline
SMILESC.C.CC1CN(C(=O)C2=CC=CC2)Cc2c(C(=O)O)nn(Cc3ccc(F)c(C#N)c3)c21.CCOC(=O)c1nn(Cc2ccc(F)c(C#N)c2)c2c1CN(C(=O)C1=CC=CC1)CC2C.Cc1cccc(N)c1.O=C(Cl)C1=CC=CC1.[2H]CF.[C-]#[N+]c1cc(Cn2nc(C(=O)OCC)c3c2C(C)CCC3)ccc1F.[C-]#[N+]c1cc(Cn2nc(C(=O)OCC)c3c2C(C)CN(C(=O)OC(C)(C)C)C3)ccc1F.[H]/N=N/N=NCl
InChIInChI=1S/C24H23FN4O3.C23H27FN4O4.C22H19FN4O3.C19H20FN3O2.C7H9N.C6H5ClO.CH3F.2CH4.ClHN4/c1-3-32-24(31)21-19-14-28(23(30)17-6-4-5-7-17)12-15(2)22(19)29(27-21)13-16-8-9-20(25)18(10-16)11-26;1-7-31-21(29)19-16-13-27(22(30)32-23(3,4)5)11-14(2)20(16)28(26-19)12-15-8-9-17(24)18(10-15)25-6;1-13-10-26(21(28)15-4-2-3-5-15)12-17-19(22(29)30)25-27(20(13)17)11-14-6-7-18(23)16(8-14)9-24;1-4-25-19(24)17-14-7-5-6-12(2)18(14)23(22-17)11-13-8-9-15(20)16(10-13)21-3;1-6-3-2-4-7(8)5-6;7-6(8)5-3-1-2-4-5;1-2;;;1-3-5-4-2/h4-6,8-10,15H,3,7,12-14H2,1-2H3;8-10,14H,7,11-13H2,1-5H3;2-4,6-8,13H,5,10-12H2,1H3,(H,29,30);8-10,12H,4-7,11H2,1-2H3;2-5H,8H2,1H3;1-3H,4H2;1H3;2*1H4;2H/b;;;;;;;;;4-2+,5-3?/i;;;;;;1D;;;
InChIKeyBMQOPJCCICVGGY-GRWZZNCNSA-N
XLogP21.92
TPSA417.96 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002020.09
LogP ≤ 521.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline with MolForge

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Launch Full Analysis

Related Compounds

lithium;(1S)-1-(3-aminophenyl)ethanol;1-[(2-cyano-4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(2-cyano-4-fluorophenyl)methyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(2-cyano-4-fluorophenyl)methyl]-7-methyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydroxide
CID 157282101

Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline?
The IUPAC name of 5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline (CID 157396688) is 5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline.
What is the SMILES notation for 5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline?
The canonical SMILES for 5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline is C.C.CC1CN(C(=O)C2=CC=CC2)Cc2c(C(=O)O)nn(Cc3ccc(F)c(C#N)c3)c21.CCOC(=O)c1nn(Cc2ccc(F)c(C#N)c2)c2c1CN(C(=O)C1=CC=CC1)CC2C.Cc1cccc(N)c1.O=C(Cl)C1=CC=CC1.[2H]CF.[C-]#[N+]c1cc(Cn2nc(C(=O)OCC)c3c2C(C)CCC3)ccc1F.[C-]#[N+]c1cc(Cn2nc(C(=O)OCC)c3c2C(C)CN(C(=O)OC(C)(C)C)C3)ccc1F.[H]/N=N/N=NCl.
What is the InChIKey of 5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline?
The InChIKey is BMQOPJCCICVGGY-GRWZZNCNSA-N. The full InChI is InChI=1S/C24H23FN4O3.C23H27FN4O4.C22H19FN4O3.C19H20FN3O2.C7H9N.C6H5ClO.CH3F.2CH4.ClHN4/c1-3-32-24(31)21-19-14-28(23(30)17-6-4-5-7-17)12-15(2)22(19)29(27-21)13-16-8-9-20(25)18(10-16)11-26;1-7-31-21(29)19-16-13-27(22(30)32-23(3,4)5)11-14(2)20(16)28(26-19)12-15-8-9-17(24)18(10-15)25-6;1-13-10-26(21(28)15-4-2-3-5-15)12-17-19(22(29)30)25-27(20(13)17)11-14-6-7-18(23)16(8-14)9-24;1-4-25-19(24)17-14-7-5-6-12(2)18(14)23(22-17)11-13-8-9-15(20)16(10-13)21-3;1-6-3-2-4-7(8)5-6;7-6(8)5-3-1-2-4-5;1-2;;;1-3-5-4-2/h4-6,8-10,15H,3,7,12-14H2,1-2H3;8-10,14H,7,11-13H2,1-5H3;2-4,6-8,13H,5,10-12H2,1H3,(H,29,30);8-10,12H,4-7,11H2,1-2H3;2-5H,8H2,1H3;1-3H,4H2;1H3;2*1H4;2H/b;;;;;;;;;4-2+,5-3?/i;;;;;;1D;;;.
What are the key properties of 5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline?
5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline has a molecular weight of 2020.09 g/mol, XLogP of 21.92, 19 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 3-O-ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3,5-dicarboxylate;chloro(diazenyl)diazene;1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid;cyclopenta-1,3-diene-1-carbonyl chloride;deuterio(fluoro)methane;ethyl 1-[(3-cyano-4-fluorophenyl)methyl]-5-(cyclopenta-1,3-diene-1-carbonyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylate;ethyl 1-[(4-fluoro-3-isocyanophenyl)methyl]-7-methyl-4,5,6,7-tetrahydroindazole-3-carboxylate;methane;3-methylaniline is sourced from PubChem (CID 157396688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).