N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid

C27H33ClN8O5S2 — CID 159985886

About N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid

N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid (PubChem CID 159985886) has the molecular formula C27H33ClN8O5S2 and a molecular weight of 649.20 g/mol. Its IUPAC name is N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid.

Molecular Properties

• Compound Name: N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid
• PubChem CID: 159985886
• Molecular Formula: C27H33ClN8O5S2
• Molecular Weight: 649.20 g/mol
• Exact Mass: 648.17
• IUPAC Name: N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid
• SMILES: CC(C)N1CCN(Cc2nc(C(=O)Nc3cc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc4[nH]ncc34)cs2)CC1C.O=CO
• InChI: InChI=1S/C26H31ClN8O3S2.CH2O2/c1-15(2)35-6-5-34(12-16(35)3)13-24-30-23(14-39-24)26(36)31-20-7-17(8-21-19(20)11-29-32-21)18-9-22(25(27)28-10-18)33-40(4,37)38;2-1-3/h7-11,14-16,33H,5-6,12-13H2,1-4H3,(H,29,32)(H,31,36);1H,(H,2,3)
• InChIKey: OGIFRHJJZWWVLJ-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 173.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	649.20
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid?

The IUPAC name of N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid (CID 159985886) is N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid.

What is the SMILES notation for N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid?

The canonical SMILES for N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid is CC(C)N1CCN(Cc2nc(C(=O)Nc3cc(-c4cnc(Cl)c(NS(C)(=O)=O)c4)cc4[nH]ncc34)cs2)CC1C.O=CO.

What is the InChIKey of N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid?

The InChIKey is OGIFRHJJZWWVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN8O3S2.CH2O2/c1-15(2)35-6-5-34(12-16(35)3)13-24-30-23(14-39-24)26(36)31-20-7-17(8-21-19(20)11-29-32-21)18-9-22(25(27)28-10-18)33-40(4,37)38;2-1-3/h7-11,14-16,33H,5-6,12-13H2,1-4H3,(H,29,32)(H,31,36);1H,(H,2,3).

What are the key properties of N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid?

N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid has a molecular weight of 649.20 g/mol, XLogP of 3.97, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[6-chloro-5-(methanesulfonamido)-3-pyridinyl]-1H-indazol-4-yl]-2-[(3-methyl-4-propan-2-ylpiperazin-1-yl)methyl]-1,3-thiazole-4-carboxamide;formic acid is sourced from PubChem (CID 159985886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).