tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid

C73H59Cl4N11O11S3 — CID 158532548

IUPACtert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1N.CC(C)(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cc2ccccn2n1.O=C(Cl)c1cc2ccccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2n1.O=C(O)c1cc2ccccn2n1
InChIInChI=1S/C23H20ClN3O3S.C19H12ClN3O3S.C15H16ClNO2S.C8H5ClN2O.C8H6N2O2/c1-23(2,3)30-22(29)19-17(14-7-9-15(24)10-8-14)13-31-21(19)25-20(28)18-12-16-6-4-5-11-27(16)26-18;20-12-6-4-11(5-7-12)14-10-27-18(16(14)19(25)26)21-17(24)15-9-13-3-1-2-8-23(13)22-15;1-15(2,3)19-14(18)12-11(8-20-13(12)17)9-4-6-10(16)7-5-9;9-8(12)7-5-6-3-1-2-4-11(6)10-7;11-8(12)7-5-6-3-1-2-4-10(6)9-7/h4-13H,1-3H3,(H,25,28);1-10H,(H,21,24)(H,25,26);4-8H,17H2,1-3H3;1-5H;1-5H,(H,11,12)
InChIKeyHNNVPPMZMQBMGV-UHFFFAOYSA-N
MW1504.35 g/mol
LogP17.94
Rot. Bonds12

About tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid

tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 158532548) has the molecular formula C73H59Cl4N11O11S3 and a molecular weight of 1504.35 g/mol. Its IUPAC name is tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID158532548
Molecular FormulaC73H59Cl4N11O11S3
Molecular Weight1504.35 g/mol
Exact Mass1501.23
IUPAC Nametert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1N.CC(C)(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cc2ccccn2n1.O=C(Cl)c1cc2ccccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2n1.O=C(O)c1cc2ccccn2n1
InChIInChI=1S/C23H20ClN3O3S.C19H12ClN3O3S.C15H16ClNO2S.C8H5ClN2O.C8H6N2O2/c1-23(2,3)30-22(29)19-17(14-7-9-15(24)10-8-14)13-31-21(19)25-20(28)18-12-16-6-4-5-11-27(16)26-18;20-12-6-4-11(5-7-12)14-10-27-18(16(14)19(25)26)21-17(24)15-9-13-3-1-2-8-23(13)22-15;1-15(2,3)19-14(18)12-11(8-20-13(12)17)9-4-6-10(16)7-5-9;9-8(12)7-5-6-3-1-2-4-11(6)10-7;11-8(12)7-5-6-3-1-2-4-10(6)9-7/h4-13H,1-3H3,(H,25,28);1-10H,(H,21,24)(H,25,26);4-8H,17H2,1-3H3;1-5H;1-5H,(H,11,12)
InChIKeyHNNVPPMZMQBMGV-UHFFFAOYSA-N
XLogP17.94
TPSA297.69 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001504.35
LogP ≤ 517.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid with MolForge

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Related Compounds

Tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 59535949
Tert-butyl 2-amino-4-(4-chloro-3-fluorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chloro-3-fluorophenyl)-2-(quinoxaline-2-carbonylamino)thiophene-3-carboxylate;4-(4-chloro-3-fluorophenyl)-2-(quinoxaline-2-carbonylamino)thiophene-3-carboxylic acid;chloromethane;quinoxaline-2-carbonyl chloride;quinoxaline-2-carboxylic acid
CID 158554692
4-(4-Chlorophenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-methoxypyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 158930474
2-[(3-Aminopyrazolo[1,5-a]pyridine-2-carbonyl)amino]-4-(2,3-difluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-fluoro-6-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 159162586
4-(4-Bromophenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(4-fluoropyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid
CID 161647110

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 158532548) is tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1N.CC(C)(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cc2ccccn2n1.O=C(Cl)c1cc2ccccn2n1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2ccccn2n1.O=C(O)c1cc2ccccn2n1.
What is the InChIKey of tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is HNNVPPMZMQBMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3S.C19H12ClN3O3S.C15H16ClNO2S.C8H5ClN2O.C8H6N2O2/c1-23(2,3)30-22(29)19-17(14-7-9-15(24)10-8-14)13-31-21(19)25-20(28)18-12-16-6-4-5-11-27(16)26-18;20-12-6-4-11(5-7-12)14-10-27-18(16(14)19(25)26)21-17(24)15-9-13-3-1-2-8-23(13)22-15;1-15(2,3)19-14(18)12-11(8-20-13(12)17)9-4-6-10(16)7-5-9;9-8(12)7-5-6-3-1-2-4-11(6)10-7;11-8(12)7-5-6-3-1-2-4-10(6)9-7/h4-13H,1-3H3,(H,25,28);1-10H,(H,21,24)(H,25,26);4-8H,17H2,1-3H3;1-5H;1-5H,(H,11,12).
What are the key properties of tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid?
tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 1504.35 g/mol, XLogP of 17.94, 12 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate;tert-butyl 4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylate;4-(4-chlorophenyl)-2-(pyrazolo[1,5-a]pyridine-2-carbonylamino)thiophene-3-carboxylic acid;pyrazolo[1,5-a]pyridine-2-carbonyl chloride;pyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 158532548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).