4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide

C26H22FN7O4 — CID 134573354

About 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide

4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide (PubChem CID 134573354) has the molecular formula C26H22FN7O4 and a molecular weight of 515.51 g/mol. Its IUPAC name is 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide
• PubChem CID: 134573354
• Molecular Formula: C26H22FN7O4
• Molecular Weight: 515.51 g/mol
• Exact Mass: 515.17
• IUPAC Name: 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide
• SMILES: Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccc6c(c5)OCO6)[nH]n4)c3C(=O)N(C)C)ccc2[nH]1
• InChI: InChI=1S/C26H22FN7O4/c1-13-8-15-16(30-13)5-7-19(23(15)27)38-25-22(26(35)34(2)3)24(28-11-29-25)31-21-10-17(32-33-21)14-4-6-18-20(9-14)37-12-36-18/h4-11,30H,12H2,1-3H3,(H2,28,29,31,32,33)
• InChIKey: NLXUZQXLOMYQTJ-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 130.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.51
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide?

The IUPAC name of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide (CID 134573354) is 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide.

What is the SMILES notation for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide?

The canonical SMILES for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide is Cc1cc2c(F)c(Oc3ncnc(Nc4cc(-c5ccc6c(c5)OCO6)[nH]n4)c3C(=O)N(C)C)ccc2[nH]1.

What is the InChIKey of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide?

The InChIKey is NLXUZQXLOMYQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN7O4/c1-13-8-15-16(30-13)5-7-19(23(15)27)38-25-22(26(35)34(2)3)24(28-11-29-25)31-21-10-17(32-33-21)14-4-6-18-20(9-14)37-12-36-18/h4-11,30H,12H2,1-3H3,(H2,28,29,31,32,33).

What are the key properties of 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide?

4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide has a molecular weight of 515.51 g/mol, XLogP of 4.76, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]amino]-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N,N-dimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 134573354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).