(1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione

C20H17FN6O2 — CID 162431014

About (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione

(1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione (PubChem CID 162431014) has the molecular formula C20H17FN6O2 and a molecular weight of 392.39 g/mol. Its IUPAC name is (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione.

Molecular Properties

• Compound Name: (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione
• PubChem CID: 162431014
• Molecular Formula: C20H17FN6O2
• Molecular Weight: 392.39 g/mol
• Exact Mass: 392.14
• IUPAC Name: (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione
• SMILES: Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21Cc2ccccc2[C@@H]1F
• InChI: InChI=1S/C20H17FN6O2/c1-10-6-13(25-15-7-14(22)23-9-24-15)19(29)27-16(10)18(28)26-20(27)8-11-4-2-3-5-12(11)17(20)21/h2-7,9,17H,8H2,1H3,(H,26,28)(H3,22,23,24,25)/t17-,20?/m0/s1
• InChIKey: FSYCECWBUSREOB-DIMJTDRSSA-N
• XLogP: 1.94
• TPSA: 114.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.39
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione?

The IUPAC name of (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione (CID 162431014) is (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione.

What is the SMILES notation for (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione?

The canonical SMILES for (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione is Cc1cc(Nc2cc(N)ncn2)c(=O)n2c1C(=O)NC21Cc2ccccc2[C@@H]1F.

What is the InChIKey of (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione?

The InChIKey is FSYCECWBUSREOB-DIMJTDRSSA-N. The full InChI is InChI=1S/C20H17FN6O2/c1-10-6-13(25-15-7-14(22)23-9-24-15)19(29)27-16(10)18(28)26-20(27)8-11-4-2-3-5-12(11)17(20)21/h2-7,9,17H,8H2,1H3,(H,26,28)(H3,22,23,24,25)/t17-,20?/m0/s1.

What are the key properties of (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione?

(1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione has a molecular weight of 392.39 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-6'-[(6-aminopyrimidin-4-yl)amino]-1-fluoro-8'-methylspiro[1,3-dihydroindene-2,3'-2H-imidazo[1,5-a]pyridine]-1',5'-dione is sourced from PubChem (CID 162431014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).