2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C27H31N7O3S — CID 164547742

About 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547742) has the molecular formula C27H31N7O3S and a molecular weight of 533.66 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)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-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547742
• Molecular Formula: C27H31N7O3S
• Molecular Weight: 533.66 g/mol
• Exact Mass: 533.22
• IUPAC Name: 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)C4CCCCN4C(C)C)cnc3C)c2s1
• InChI: InChI=1S/C27H31N7O3S/c1-16(2)33-11-6-5-9-22(33)25(36)31-18-12-21(17(3)29-13-18)32-24(35)20-14-30-34-15-23(38-27(20)34)19-8-7-10-28-26(19)37-4/h7-8,10,12-16,22H,5-6,9,11H2,1-4H3,(H,31,36)(H,32,35)
• InChIKey: NIUMEBZSKODLKC-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.66
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)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-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547742) is 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)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-[(1-propan-2-ylpiperidine-2-carbonyl)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-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is COc1ncccc1-c1cn2ncc(C(=O)Nc3cc(NC(=O)C4CCCCN4C(C)C)cnc3C)c2s1.

What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is NIUMEBZSKODLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O3S/c1-16(2)33-11-6-5-9-22(33)25(36)31-18-12-21(17(3)29-13-18)32-24(35)20-14-30-34-15-23(38-27(20)34)19-8-7-10-28-26(19)37-4/h7-8,10,12-16,22H,5-6,9,11H2,1-4H3,(H,31,36)(H,32,35).

What are the key properties of 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 533.66 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxy-3-pyridinyl)-N-[2-methyl-5-[(1-propan-2-ylpiperidine-2-carbonyl)amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).