2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide

C24H24FN9OS — CID 129228883

About 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide

2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide (PubChem CID 129228883) has the molecular formula C24H24FN9OS and a molecular weight of 505.58 g/mol. Its IUPAC name is 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 129228883
• Molecular Formula: C24H24FN9OS
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.18
• IUPAC Name: 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
• SMILES: Cn1ccc2c(NC3CCCC(NC(=O)c4csc(N)n4)C3)nc(-c3c[nH]c4ncc(F)cc34)nc21
• InChI: InChI=1S/C24H24FN9OS/c1-34-6-5-15-20(29-13-3-2-4-14(8-13)30-23(35)18-11-36-24(26)31-18)32-21(33-22(15)34)17-10-28-19-16(17)7-12(25)9-27-19/h5-7,9-11,13-14H,2-4,8H2,1H3,(H2,26,31)(H,27,28)(H,30,35)(H,29,32,33)
• InChIKey: MAFXUVWKXXMIBM-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 139.43 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide (CID 129228883) is 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide is Cn1ccc2c(NC3CCCC(NC(=O)c4csc(N)n4)C3)nc(-c3c[nH]c4ncc(F)cc34)nc21.

What is the InChIKey of 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide?

The InChIKey is MAFXUVWKXXMIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9OS/c1-34-6-5-15-20(29-13-3-2-4-14(8-13)30-23(35)18-11-36-24(26)31-18)32-21(33-22(15)34)17-10-28-19-16(17)7-12(25)9-27-19/h5-7,9-11,13-14H,2-4,8H2,1H3,(H2,26,31)(H,27,28)(H,30,35)(H,29,32,33).

What are the key properties of 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide?

2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide has a molecular weight of 505.58 g/mol, XLogP of 3.84, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[3-[[2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 129228883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).