4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide

C23H23F2N7O2 — CID 122521143

About 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide

4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide (PubChem CID 122521143) has the molecular formula C23H23F2N7O2 and a molecular weight of 467.48 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide
• PubChem CID: 122521143
• Molecular Formula: C23H23F2N7O2
• Molecular Weight: 467.48 g/mol
• Exact Mass: 467.19
• IUPAC Name: 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide
• SMILES: CCN(C)C(=O)c1c(Nc2cc(C3CC3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F
• InChI: InChI=1S/C23H23F2N7O2/c1-4-32(3)23(33)18-21(29-17-9-15(30-31-17)12-5-6-12)26-10-27-22(18)34-16-8-14(24)20-13(19(16)25)7-11(2)28-20/h7-10,12,28H,4-6H2,1-3H3,(H2,26,27,29,30,31)
• InChIKey: IVUIAVYAFFPYQW-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 111.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.48
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide?

The IUPAC name of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide (CID 122521143) is 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide.

What is the SMILES notation for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide?

The canonical SMILES for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide is CCN(C)C(=O)c1c(Nc2cc(C3CC3)[nH]n2)ncnc1Oc1cc(F)c2[nH]c(C)cc2c1F.

What is the InChIKey of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide?

The InChIKey is IVUIAVYAFFPYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N7O2/c1-4-32(3)23(33)18-21(29-17-9-15(30-31-17)12-5-6-12)26-10-27-22(18)34-16-8-14(24)20-13(19(16)25)7-11(2)28-20/h7-10,12,28H,4-6H2,1-3H3,(H2,26,27,29,30,31).

What are the key properties of 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide?

4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide has a molecular weight of 467.48 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 122521143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).