5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide

C24H29F2N7O2S — CID 123597922

About 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide

5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide (PubChem CID 123597922) has the molecular formula C24H29F2N7O2S and a molecular weight of 517.61 g/mol. Its IUPAC name is 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide
• PubChem CID: 123597922
• Molecular Formula: C24H29F2N7O2S
• Molecular Weight: 517.61 g/mol
• Exact Mass: 517.21
• IUPAC Name: 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide
• SMILES: Cc1nsc(Nc2cnc(C(C)(F)F)cn2)c1C(=O)Nc1ccc(OC2CCN(C(C)C)CC2)nc1
• InChI: InChI=1S/C24H29F2N7O2S/c1-14(2)33-9-7-17(8-10-33)35-20-6-5-16(11-29-20)30-22(34)21-15(3)32-36-23(21)31-19-13-27-18(12-28-19)24(4,25)26/h5-6,11-14,17H,7-10H2,1-4H3,(H,28,31)(H,30,34)
• InChIKey: IOXURKWLWVELOG-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 105.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.61
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide?

The IUPAC name of 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide (CID 123597922) is 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide.

What is the SMILES notation for 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide?

The canonical SMILES for 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide is Cc1nsc(Nc2cnc(C(C)(F)F)cn2)c1C(=O)Nc1ccc(OC2CCN(C(C)C)CC2)nc1.

What is the InChIKey of 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide?

The InChIKey is IOXURKWLWVELOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N7O2S/c1-14(2)33-9-7-17(8-10-33)35-20-6-5-16(11-29-20)30-22(34)21-15(3)32-36-23(21)31-19-13-27-18(12-28-19)24(4,25)26/h5-6,11-14,17H,7-10H2,1-4H3,(H,28,31)(H,30,34).

What are the key properties of 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide?

5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide has a molecular weight of 517.61 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-(1,1-difluoroethyl)pyrazin-2-yl]amino]-3-methyl-N-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 123597922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).