2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

C20H19FN6O — CID 118446835

About 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine

2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 118446835) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
• PubChem CID: 118446835
• Molecular Formula: C20H19FN6O
• Molecular Weight: 378.41 g/mol
• Exact Mass: 378.16
• IUPAC Name: 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine
• SMILES: C/C=C/c1cc(Nc2cc(C)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1
• InChI: InChI=1S/C20H19FN6O/c1-4-5-13-10-18(27-26-13)24-17-9-12(3)23-20(25-17)28-16-7-6-15-14(19(16)21)8-11(2)22-15/h4-10,22H,1-3H3,(H2,23,24,25,26,27)/b5-4+
• InChIKey: IHICFWXRTSEZEQ-SNAWJCMRSA-N
• XLogP: 5.01
• TPSA: 91.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.41
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?

The IUPAC name of 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine (CID 118446835) is 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine.

What is the SMILES notation for 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?

The canonical SMILES for 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is C/C=C/c1cc(Nc2cc(C)nc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1.

What is the InChIKey of 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?

The InChIKey is IHICFWXRTSEZEQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-4-5-13-10-18(27-26-13)24-17-9-12(3)23-20(25-17)28-16-7-6-15-14(19(16)21)8-11(2)22-15/h4-10,22H,1-3H3,(H2,23,24,25,26,27)/b5-4+.

What are the key properties of 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine?

2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 378.41 g/mol, XLogP of 5.01, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methyl-N-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 118446835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).