N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C26H29N7O4S — CID 171408639

About N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 171408639) has the molecular formula C26H29N7O4S and a molecular weight of 535.63 g/mol. Its IUPAC name is N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 171408639
• Molecular Formula: C26H29N7O4S
• Molecular Weight: 535.63 g/mol
• Exact Mass: 535.20
• IUPAC Name: N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: CCC1CN(CC(=O)Nc2cnc(C)c(NC(=O)c3cnn4cc(-c5cccnc5OC)sc34)c2)CCO1
• InChI: InChI=1S/C26H29N7O4S/c1-4-18-13-32(8-9-37-18)15-23(34)30-17-10-21(16(2)28-11-17)31-24(35)20-12-29-33-14-22(38-26(20)33)19-6-5-7-27-25(19)36-3/h5-7,10-12,14,18H,4,8-9,13,15H2,1-3H3,(H,30,34)(H,31,35)
• InChIKey: LTKWGRWKEQSWBK-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 122.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.63
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 171408639) is N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CCC1CN(CC(=O)Nc2cnc(C)c(NC(=O)c3cnn4cc(-c5cccnc5OC)sc34)c2)CCO1.

What is the InChIKey of N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is LTKWGRWKEQSWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O4S/c1-4-18-13-32(8-9-37-18)15-23(34)30-17-10-21(16(2)28-11-17)31-24(35)20-12-29-33-14-22(38-26(20)33)19-6-5-7-27-25(19)36-3/h5-7,10-12,14,18H,4,8-9,13,15H2,1-3H3,(H,30,34)(H,31,35).

What are the key properties of N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 535.63 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(2-ethylmorpholin-4-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 171408639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).