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

C25H27N7O4S — CID 164547855

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

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547855) has the molecular formula C25H27N7O4S and a molecular weight of 521.60 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547855
• Molecular Formula: C25H27N7O4S
• Molecular Weight: 521.60 g/mol
• Exact Mass: 521.18
• IUPAC Name: 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CCO[C@H](C)C4)cnc3C)c2s1
• InChI: InChI=1S/C25H27N7O4S/c1-15-12-31(7-8-36-15)14-22(33)29-17-9-20(16(2)27-10-17)30-23(34)19-11-28-32-13-21(37-25(19)32)18-5-4-6-26-24(18)35-3/h4-6,9-11,13,15H,7-8,12,14H2,1-3H3,(H,29,33)(H,30,34)/t15-/m1/s1
• InChIKey: GEWZDNZEPSGOFS-OAHLLOKOSA-N
• XLogP: 3.08
• TPSA: 122.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.60
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547855) is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

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

The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CCO[C@H](C)C4)cnc3C)c2s1.

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

The InChIKey is GEWZDNZEPSGOFS-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H27N7O4S/c1-15-12-31(7-8-36-15)14-22(33)29-17-9-20(16(2)27-10-17)30-23(34)19-11-28-32-13-21(37-25(19)32)18-5-4-6-26-24(18)35-3/h4-6,9-11,13,15H,7-8,12,14H2,1-3H3,(H,29,33)(H,30,34)/t15-/m1/s1.

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

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 521.60 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-[(2R)-2-methylmorpholin-4-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).