N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C27H29N9O2S — CID 164547822

About N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547822) has the molecular formula C27H29N9O2S and a molecular weight of 543.66 g/mol. Its IUPAC name is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547822
• Molecular Formula: C27H29N9O2S
• Molecular Weight: 543.66 g/mol
• Exact Mass: 543.22
• IUPAC Name: N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-n3ncc4cccnc43)sc12
• InChI: InChI=1S/C27H29N9O2S/c1-17-21(12-19(13-30-17)24(37)29-9-11-34-10-5-7-27(34,2)3)33-25(38)20-15-31-35-16-22(39-26(20)35)36-23-18(14-32-36)6-4-8-28-23/h4,6,8,12-16H,5,7,9-11H2,1-3H3,(H,29,37)(H,33,38)
• InChIKey: MWQIMRGVAYONBS-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 122.34 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	543.66
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547822) is N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-n3ncc4cccnc43)sc12.

What is the InChIKey of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

The InChIKey is MWQIMRGVAYONBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N9O2S/c1-17-21(12-19(13-30-17)24(37)29-9-11-34-10-5-7-27(34,2)3)33-25(38)20-15-31-35-16-22(39-26(20)35)36-23-18(14-32-36)6-4-8-28-23/h4,6,8,12-16H,5,7,9-11H2,1-3H3,(H,29,37)(H,33,38).

What are the key properties of N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?

N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 543.66 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2,2-dimethylpyrrolidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).