5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine

C50H44F2N12O5S2 — CID 164994929

About 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine

5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine (PubChem CID 164994929) has the molecular formula C50H44F2N12O5S2 and a molecular weight of 995.11 g/mol. Its IUPAC name is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine.

Molecular Properties

• Compound Name: 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine
• PubChem CID: 164994929
• Molecular Formula: C50H44F2N12O5S2
• Molecular Weight: 995.11 g/mol
• Exact Mass: 994.30
• IUPAC Name: 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine
• SMILES: CC(c1ccc(F)cc1)n1cc(N)cn1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)Nc1cnn(C(C)c2ccc(F)cc2)c1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O
• InChI: InChI=1S/C25H21FN6O2S.C14H11N3O3S.C11H12FN3/c1-14(15-3-6-18(26)7-4-15)32-13-19(12-29-32)30-23(33)20-9-17(11-28-24(20)34-2)16-5-8-21-22(10-16)35-25(27)31-21;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;1-8(15-7-11(13)6-14-15)9-2-4-10(12)5-3-9/h3-14H,1-2H3,(H2,27,31)(H,30,33);2-6H,1H3,(H2,15,17)(H,18,19);2-8H,13H2,1H3
• InChIKey: HKNJNYWCYPWIRX-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 250.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	995.11
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine?

The IUPAC name of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine (CID 164994929) is 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine.

What is the SMILES notation for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine?

The canonical SMILES for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine is CC(c1ccc(F)cc1)n1cc(N)cn1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)Nc1cnn(C(C)c2ccc(F)cc2)c1.COc1ncc(-c2ccc3nc(N)sc3c2)cc1C(=O)O.

What is the InChIKey of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine?

The InChIKey is HKNJNYWCYPWIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O2S.C14H11N3O3S.C11H12FN3/c1-14(15-3-6-18(26)7-4-15)32-13-19(12-29-32)30-23(33)20-9-17(11-28-24(20)34-2)16-5-8-21-22(10-16)35-25(27)31-21;1-20-12-9(13(18)19)4-8(6-16-12)7-2-3-10-11(5-7)21-14(15)17-10;1-8(15-7-11(13)6-14-15)9-2-4-10(12)5-3-9/h3-14H,1-2H3,(H2,27,31)(H,30,33);2-6H,1H3,(H2,15,17)(H,18,19);2-8H,13H2,1H3.

What are the key properties of 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine?

5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine has a molecular weight of 995.11 g/mol, XLogP of 10.01, 11 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-amino-1,3-benzothiazol-6-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-2-methoxypyridine-3-carboxamide;5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylic acid;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 164994929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).