3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine

C18H18FN7O — CID 167088857

About 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine

3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine (PubChem CID 167088857) has the molecular formula C18H18FN7O and a molecular weight of 367.39 g/mol. Its IUPAC name is 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine.

Molecular Properties

• Compound Name: 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine
• PubChem CID: 167088857
• Molecular Formula: C18H18FN7O
• Molecular Weight: 367.39 g/mol
• Exact Mass: 367.16
• IUPAC Name: 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine
• SMILES: CNc1cccc2c(-c3nc(Nc4cn(C)nc4OC)ncc3F)c[nH]c12
• InChI: InChI=1S/C18H18FN7O/c1-20-13-6-4-5-10-11(7-21-16(10)13)15-12(19)8-22-18(24-15)23-14-9-26(2)25-17(14)27-3/h4-9,20-21H,1-3H3,(H,22,23,24)
• InChIKey: GUKUZTXBSLYOTF-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 92.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.39
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine?

The IUPAC name of 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine (CID 167088857) is 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine.

What is the SMILES notation for 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine?

The canonical SMILES for 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine is CNc1cccc2c(-c3nc(Nc4cn(C)nc4OC)ncc3F)c[nH]c12.

What is the InChIKey of 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine?

The InChIKey is GUKUZTXBSLYOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O/c1-20-13-6-4-5-10-11(7-21-16(10)13)15-12(19)8-22-18(24-15)23-14-9-26(2)25-17(14)27-3/h4-9,20-21H,1-3H3,(H,22,23,24).

What are the key properties of 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine?

3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine has a molecular weight of 367.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine is sourced from PubChem (CID 167088857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).