2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C22H24N8O2S — CID 164547921

About 2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547921) has the molecular formula C22H24N8O2S and a molecular weight of 464.56 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 164547921
• Molecular Formula: C22H24N8O2S
• Molecular Weight: 464.56 g/mol
• Exact Mass: 464.17
• IUPAC Name: 2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)C[C@@H]2CCNC2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12
• InChI: InChI=1S/C22H24N8O2S/c1-13-18(6-16(9-24-13)27-20(31)5-14-3-4-23-7-14)28-21(32)17-10-26-30-12-19(33-22(17)30)15-8-25-29(2)11-15/h6,8-12,14,23H,3-5,7H2,1-2H3,(H,27,31)(H,28,32)/t14-/m0/s1
• InChIKey: GHDDHVUQYZGZDS-AWEZNQCLSA-N
• XLogP: 2.69
• TPSA: 118.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.56
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547921) is 2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

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

The canonical SMILES for 2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)C[C@@H]2CCNC2)cc1NC(=O)c1cnn2cc(-c3cnn(C)c3)sc12.

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

The InChIKey is GHDDHVUQYZGZDS-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N8O2S/c1-13-18(6-16(9-24-13)27-20(31)5-14-3-4-23-7-14)28-21(32)17-10-26-30-12-19(33-22(17)30)15-8-25-29(2)11-15/h6,8-12,14,23H,3-5,7H2,1-2H3,(H,27,31)(H,28,32)/t14-/m0/s1.

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

2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 464.56 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[2-[(3S)-pyrrolidin-3-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).