N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C44H33ClFN9O6S3 — CID 157185290

About N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 157185290) has the molecular formula C44H33ClFN9O6S3 and a molecular weight of 934.46 g/mol. Its IUPAC name is N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 157185290
• Molecular Formula: C44H33ClFN9O6S3
• Molecular Weight: 934.46 g/mol
• Exact Mass: 933.14
• IUPAC Name: N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cc1cc(Cl)cnc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1.O=C(NCc1ccc(S(=O)(=O)c2csc(-c3cccc(F)c3)n2)cc1)c1cnc2[nH]ncc2c1
• InChI: InChI=1S/C23H16FN5O3S2.C21H17ClN4O3S/c24-18-3-1-2-15(9-18)23-28-20(13-33-23)34(31,32)19-6-4-14(5-7-19)10-26-22(30)17-8-16-12-27-29-21(16)25-11-17;1-14-10-17(22)12-25-21(14)30(28,29)18-5-2-15(3-6-18)11-24-20(27)16-4-7-19-23-8-9-26(19)13-16/h1-9,11-13H,10H2,(H,26,30)(H,25,27,29);2-10,12-13H,11H2,1H3,(H,24,27)
• InChIKey: APAWTTJTEBPGNO-UHFFFAOYSA-N
• XLogP: 7.44
• TPSA: 211.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	934.46
LogP ≤ 5	7.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 157185290) is N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1cc(Cl)cnc1S(=O)(=O)c1ccc(CNC(=O)c2ccc3nccn3c2)cc1.O=C(NCc1ccc(S(=O)(=O)c2csc(-c3cccc(F)c3)n2)cc1)c1cnc2[nH]ncc2c1.

What is the InChIKey of N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is APAWTTJTEBPGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O3S2.C21H17ClN4O3S/c24-18-3-1-2-15(9-18)23-28-20(13-33-23)34(31,32)19-6-4-14(5-7-19)10-26-22(30)17-8-16-12-27-29-21(16)25-11-17;1-14-10-17(22)12-25-21(14)30(28,29)18-5-2-15(3-6-18)11-24-20(27)16-4-7-19-23-8-9-26(19)13-16/h1-9,11-13H,10H2,(H,26,30)(H,25,27,29);2-10,12-13H,11H2,1H3,(H,24,27).

What are the key properties of N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?

N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 934.46 g/mol, XLogP of 7.44, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 157185290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).