2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

C25H29N7O5S2 — CID 67155536

About 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide

2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 67155536) has the molecular formula C25H29N7O5S2 and a molecular weight of 571.69 g/mol. Its IUPAC name is 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 67155536
• Molecular Formula: C25H29N7O5S2
• Molecular Weight: 571.69 g/mol
• Exact Mass: 571.17
• IUPAC Name: 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide
• SMILES: CCC1CN(Cc2nc(C(=O)Nc3cc(-c4cnc(OC)c(NS(C)(=O)=O)c4)cc4[nH]ncc34)cs2)CCO1
• InChI: InChI=1S/C25H29N7O5S2/c1-4-17-12-32(5-6-37-17)13-23-28-22(14-38-23)24(33)29-19-7-15(8-20-18(19)11-27-30-20)16-9-21(31-39(3,34)35)25(36-2)26-10-16/h7-11,14,17,31H,4-6,12-13H2,1-3H3,(H,27,30)(H,29,33)
• InChIKey: USGGLIMRGUKRIY-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 151.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.69
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide (CID 67155536) is 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is CCC1CN(Cc2nc(C(=O)Nc3cc(-c4cnc(OC)c(NS(C)(=O)=O)c4)cc4[nH]ncc34)cs2)CCO1.

What is the InChIKey of 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is USGGLIMRGUKRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O5S2/c1-4-17-12-32(5-6-37-17)13-23-28-22(14-38-23)24(33)29-19-7-15(8-20-18(19)11-27-30-20)16-9-21(31-39(3,34)35)25(36-2)26-10-16/h7-11,14,17,31H,4-6,12-13H2,1-3H3,(H,27,30)(H,29,33).

What are the key properties of 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide?

2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 571.69 g/mol, XLogP of 3.32, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-ethylmorpholin-4-yl)methyl]-N-[6-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-1H-indazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67155536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).