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

C27H30FN7O3S — CID 164547758

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

N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547758) has the molecular formula C27H30FN7O3S and a molecular weight of 551.65 g/mol. Its IUPAC name is N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547758
• Molecular Formula: C27H30FN7O3S
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.21
• IUPAC Name: N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12
• InChI: InChI=1S/C27H30FN7O3S/c1-17-21(12-18(13-30-17)32-23(36)16-34-10-5-7-27(34,2)3)33-24(37)20-14-31-35-15-22(39-26(20)35)19-6-4-9-29-25(19)38-11-8-28/h4,6,9,12-15H,5,7-8,10-11,16H2,1-3H3,(H,32,36)(H,33,37)
• InChIKey: BBQRBXJSWOPEHY-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 113.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547758) is N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

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

The canonical SMILES for N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccnc3OCCF)sc12.

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

The InChIKey is BBQRBXJSWOPEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O3S/c1-17-21(12-18(13-30-17)32-23(36)16-34-10-5-7-27(34,2)3)33-24(37)20-14-31-35-15-22(39-26(20)35)19-6-4-9-29-25(19)38-11-8-28/h4,6,9,12-15H,5,7-8,10-11,16H2,1-3H3,(H,32,36)(H,33,37).

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

N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 551.65 g/mol, XLogP of 4.57, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[2-(2-fluoroethoxy)-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).