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

C24H28N8O3S — CID 175936126

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

3-[5-[[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 175936126) has the molecular formula C24H28N8O3S and a molecular weight of 508.61 g/mol. Its IUPAC name is 3-[5-[[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: 3-[5-[[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• PubChem CID: 175936126
• Molecular Formula: C24H28N8O3S
• Molecular Weight: 508.61 g/mol
• Exact Mass: 508.20
• IUPAC Name: 3-[5-[[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
• SMILES: Cc1ncc(NC(=O)CN2[C@H](C)COC[C@@H]2C)cc1-c1c(-c2cnn(C)c2)sc2c(C(N)=O)cnn12
• InChI: InChI=1S/C24H28N8O3S/c1-13-11-35-12-14(2)31(13)10-20(33)29-17-5-18(15(3)26-7-17)21-22(16-6-27-30(4)9-16)36-24-19(23(25)34)8-28-32(21)24/h5-9,13-14H,10-12H2,1-4H3,(H2,25,34)(H,29,33)/t13-,14+
• InChIKey: IDOLGPVMNGFWLN-OKILXGFUSA-N
• XLogP: 2.31
• TPSA: 132.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.61
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 3-[5-[[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 175936126) is 3-[5-[[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

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

The canonical SMILES for 3-[5-[[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2[C@H](C)COC[C@@H]2C)cc1-c1c(-c2cnn(C)c2)sc2c(C(N)=O)cnn12.

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

The InChIKey is IDOLGPVMNGFWLN-OKILXGFUSA-N. The full InChI is InChI=1S/C24H28N8O3S/c1-13-11-35-12-14(2)31(13)10-20(33)29-17-5-18(15(3)26-7-17)21-22(16-6-27-30(4)9-16)36-24-19(23(25)34)8-28-32(21)24/h5-9,13-14H,10-12H2,1-4H3,(H2,25,34)(H,29,33)/t13-,14+.

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

3-[5-[[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 508.61 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[2-[(3S,5R)-3,5-dimethylmorpholin-4-yl]acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 175936126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).