2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

C27H33N7O4S — CID 164547388

About 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (PubChem CID 164547388) has the molecular formula C27H33N7O4S and a molecular weight of 551.67 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
• PubChem CID: 164547388
• Molecular Formula: C27H33N7O4S
• Molecular Weight: 551.67 g/mol
• Exact Mass: 551.23
• IUPAC Name: 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
• SMILES: COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC5(CCOCC5)C4)cnc3C)c2s1.[H][H].[H][H]
• InChI: InChI=1S/C27H29N7O4S.2H2/c1-17-21(10-18(11-29-17)31-23(35)14-33-15-27(16-33)5-8-38-9-6-27)32-24(36)20-12-30-34-13-22(39-26(20)34)19-4-3-7-28-25(19)37-2;;/h3-4,7,10-13H,5-6,8-9,14-16H2,1-2H3,(H,31,35)(H,32,36);2*1H
• InChIKey: SYAOHVUPUYSPKZ-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 122.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.67
LogP ≤ 5	3.97
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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

The IUPAC name of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (CID 164547388) is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

What is the SMILES notation for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)CN4CC5(CCOCC5)C4)cnc3C)c2s1.[H][H].[H][H].

What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

The InChIKey is SYAOHVUPUYSPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O4S.2H2/c1-17-21(10-18(11-29-17)31-23(35)14-33-15-27(16-33)5-8-38-9-6-27)32-24(36)20-12-30-34-13-22(39-26(20)34)19-4-3-7-28-25(19)37-2;;/h3-4,7,10-13H,5-6,8-9,14-16H2,1-2H3,(H,31,35)(H,32,36);2*1H.

What are the key properties of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[[2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen has a molecular weight of 551.67 g/mol, XLogP of 3.97, 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-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 164547388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).