1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide

C26H30F2N8O2 — CID 134440541

About 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide

1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 134440541) has the molecular formula C26H30F2N8O2 and a molecular weight of 524.58 g/mol. Its IUPAC name is 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
• PubChem CID: 134440541
• Molecular Formula: C26H30F2N8O2
• Molecular Weight: 524.58 g/mol
• Exact Mass: 524.25
• IUPAC Name: 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide
• SMILES: COCCn1nc(-c2ccc(C(F)F)cc2)c(C)c1Nc1cc(-n2nc(C)c(C(=O)N(C)C)c2C)ncn1
• InChI: InChI=1S/C26H30F2N8O2/c1-15-23(18-7-9-19(10-8-18)24(27)28)33-35(11-12-38-6)25(15)31-20-13-21(30-14-29-20)36-17(3)22(16(2)32-36)26(37)34(4)5/h7-10,13-14,24H,11-12H2,1-6H3,(H,29,30,31)
• InChIKey: CQSUXGFBCNTBPK-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 102.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.58
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide?

The IUPAC name of 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide (CID 134440541) is 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide.

What is the SMILES notation for 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide?

The canonical SMILES for 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide is COCCn1nc(-c2ccc(C(F)F)cc2)c(C)c1Nc1cc(-n2nc(C)c(C(=O)N(C)C)c2C)ncn1.

What is the InChIKey of 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide?

The InChIKey is CQSUXGFBCNTBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N8O2/c1-15-23(18-7-9-19(10-8-18)24(27)28)33-35(11-12-38-6)25(15)31-20-13-21(30-14-29-20)36-17(3)22(16(2)32-36)26(37)34(4)5/h7-10,13-14,24H,11-12H2,1-6H3,(H,29,30,31).

What are the key properties of 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide?

1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 524.58 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[3-[4-(difluoromethyl)phenyl]-1-(2-methoxyethyl)-4-methylpyrazol-5-yl]amino]pyrimidin-4-yl]-N,N,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 134440541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).