5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

C24H26FN7O2S — CID 135362249

About 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide

5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (PubChem CID 135362249) has the molecular formula C24H26FN7O2S and a molecular weight of 495.58 g/mol. Its IUPAC name is 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
• PubChem CID: 135362249
• Molecular Formula: C24H26FN7O2S
• Molecular Weight: 495.58 g/mol
• Exact Mass: 495.19
• IUPAC Name: 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide
• SMILES: Cc1cc(Nc2nc(N3CCCC(NC(=O)c4ccc(C5CC5)cc4F)C3)cnc2C(N)=O)sn1
• InChI: InChI=1S/C24H26FN7O2S/c1-13-9-20(35-31-13)30-23-21(22(26)33)27-11-19(29-23)32-8-2-3-16(12-32)28-24(34)17-7-6-15(10-18(17)25)14-4-5-14/h6-7,9-11,14,16H,2-5,8,12H2,1H3,(H2,26,33)(H,28,34)(H,29,30)
• InChIKey: WGVOCUMSNTUVIF-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 126.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.58
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

The IUPAC name of 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide (CID 135362249) is 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

The canonical SMILES for 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is Cc1cc(Nc2nc(N3CCCC(NC(=O)c4ccc(C5CC5)cc4F)C3)cnc2C(N)=O)sn1.

What is the InChIKey of 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

The InChIKey is WGVOCUMSNTUVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O2S/c1-13-9-20(35-31-13)30-23-21(22(26)33)27-11-19(29-23)32-8-2-3-16(12-32)28-24(34)17-7-6-15(10-18(17)25)14-4-5-14/h6-7,9-11,14,16H,2-5,8,12H2,1H3,(H2,26,33)(H,28,34)(H,29,30).

What are the key properties of 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide?

5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide has a molecular weight of 495.58 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(4-cyclopropyl-2-fluorobenzoyl)amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 135362249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).