4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate

C59H52F2N14O12S4 — CID 159832697

IUPAC4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(N)cs1.COC(=O)c1cc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)cs1.COC(=O)c1cc(NC(=O)c2cc(F)ccn2)cs1.NNC(=O)c1cc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)cs1.O=C(O)c1cc(F)ccn1
InChIInChI=1S/C18H16N4O3S.C17H16N6O2S.C12H9FN2O3S.C6H4FNO2.C6H7NO2S/c1-25-18(24)16-6-12(9-26-16)21-17(23)14-7-13(4-5-19-14)22-8-15(20-10-22)11-2-3-11;18-22-17(25)15-5-11(8-26-15)21-16(24)13-6-12(3-4-19-13)23-7-14(20-9-23)10-1-2-10;1-18-12(17)10-5-8(6-19-10)15-11(16)9-4-7(13)2-3-14-9;7-4-1-2-8-5(3-4)6(9)10;1-9-6(8)5-2-4(7)3-10-5/h4-11H,2-3H2,1H3,(H,21,23);3-10H,1-2,18H2,(H,21,24)(H,22,25);2-6H,1H3,(H,15,16);1-3H,(H,9,10);2-3H,7H2,1H3
InChIKeyNNQVECLJWHANDI-UHFFFAOYSA-N
MW1315.41 g/mol
LogP9.66
Rot. Bonds15

About 4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate

4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 159832697) has the molecular formula C59H52F2N14O12S4 and a molecular weight of 1315.41 g/mol. Its IUPAC name is 4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Name4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate
PubChem CID159832697
Molecular FormulaC59H52F2N14O12S4
Molecular Weight1315.41 g/mol
Exact Mass1314.27
IUPAC Name4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1cc(N)cs1.COC(=O)c1cc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)cs1.COC(=O)c1cc(NC(=O)c2cc(F)ccn2)cs1.NNC(=O)c1cc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)cs1.O=C(O)c1cc(F)ccn1
InChIInChI=1S/C18H16N4O3S.C17H16N6O2S.C12H9FN2O3S.C6H4FNO2.C6H7NO2S/c1-25-18(24)16-6-12(9-26-16)21-17(23)14-7-13(4-5-19-14)22-8-15(20-10-22)11-2-3-11;18-22-17(25)15-5-11(8-26-15)21-16(24)13-6-12(3-4-19-13)23-7-14(20-9-23)10-1-2-10;1-18-12(17)10-5-8(6-19-10)15-11(16)9-4-7(13)2-3-14-9;7-4-1-2-8-5(3-4)6(9)10;1-9-6(8)5-2-4(7)3-10-5/h4-11H,2-3H2,1H3,(H,21,23);3-10H,1-2,18H2,(H,21,24)(H,22,25);2-6H,1H3,(H,15,16);1-3H,(H,9,10);2-3H,7H2,1H3
InChIKeyNNQVECLJWHANDI-UHFFFAOYSA-N
XLogP9.66
TPSA371.84 Ų
H-Bond Donors7
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001315.41
LogP ≤ 59.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate 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

4-(4-cyclopropylimidazol-1-yl)-5-fluoro-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide;4-(4-cyclopropylimidazol-1-yl)-5-fluoropyridine-2-carboxylic acid;bis(4-(4-cyclopropylimidazol-1-yl)-5-piperidin-1-yl-N-[2-(1-propan-2-yltetrazol-5-yl)-1,3-thiazol-4-yl]pyridine-2-carboxamide)
CID 158379027
4-cyclopropyl-5-methyl-1H-imidazole;4-(4-cyclopropyl-5-methylimidazol-1-yl)-N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]pyridine-2-carboxamide;5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-amine;N-[5-(4-cyclopropyl-1,2,4-triazol-3-yl)thiophen-3-yl]-4-fluoropyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid
CID 160877720

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of 4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate (CID 159832697) is 4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for 4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for 4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1cc(N)cs1.COC(=O)c1cc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)cs1.COC(=O)c1cc(NC(=O)c2cc(F)ccn2)cs1.NNC(=O)c1cc(NC(=O)c2cc(-n3cnc(C4CC4)c3)ccn2)cs1.O=C(O)c1cc(F)ccn1.
What is the InChIKey of 4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is NNQVECLJWHANDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S.C17H16N6O2S.C12H9FN2O3S.C6H4FNO2.C6H7NO2S/c1-25-18(24)16-6-12(9-26-16)21-17(23)14-7-13(4-5-19-14)22-8-15(20-10-22)11-2-3-11;18-22-17(25)15-5-11(8-26-15)21-16(24)13-6-12(3-4-19-13)23-7-14(20-9-23)10-1-2-10;1-18-12(17)10-5-8(6-19-10)15-11(16)9-4-7(13)2-3-14-9;7-4-1-2-8-5(3-4)6(9)10;1-9-6(8)5-2-4(7)3-10-5/h4-11H,2-3H2,1H3,(H,21,23);3-10H,1-2,18H2,(H,21,24)(H,22,25);2-6H,1H3,(H,15,16);1-3H,(H,9,10);2-3H,7H2,1H3.
What are the key properties of 4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate?
4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 1315.41 g/mol, XLogP of 9.66, 15 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylimidazol-1-yl)-N-[5-(hydrazinecarbonyl)thiophen-3-yl]pyridine-2-carboxamide;4-fluoropyridine-2-carboxylic acid;methyl 4-aminothiophene-2-carboxylate;methyl 4-[[4-(4-cyclopropylimidazol-1-yl)pyridine-2-carbonyl]amino]thiophene-2-carboxylate;methyl 4-[(4-fluoropyridine-2-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 159832697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).