4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline

C31H30F2N6O — CID 167225170

About 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline

4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline (PubChem CID 167225170) has the molecular formula C31H30F2N6O and a molecular weight of 540.62 g/mol. Its IUPAC name is 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline.

Molecular Properties

• Compound Name: 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline
• PubChem CID: 167225170
• Molecular Formula: C31H30F2N6O
• Molecular Weight: 540.62 g/mol
• Exact Mass: 540.24
• IUPAC Name: 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline
• SMILES: C[C@@H]1Cn2cnc(F)c2CN1c1nc(OC[C@H]2CCCN2C)nc2cc(-c3cccc4cccc(F)c34)ccc12
• InChI: InChI=1S/C31H30F2N6O/c1-19-15-38-18-34-29(33)27(38)16-39(19)30-24-12-11-21(23-9-3-6-20-7-4-10-25(32)28(20)23)14-26(24)35-31(36-30)40-17-22-8-5-13-37(22)2/h3-4,6-7,9-12,14,18-19,22H,5,8,13,15-17H2,1-2H3/t19-,22-/m1/s1
• InChIKey: HRXKTZNFEUDUMM-DENIHFKCSA-N
• XLogP: 5.81
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.62
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline?

The IUPAC name of 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline (CID 167225170) is 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline.

What is the SMILES notation for 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline?

The canonical SMILES for 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline is C[C@@H]1Cn2cnc(F)c2CN1c1nc(OC[C@H]2CCCN2C)nc2cc(-c3cccc4cccc(F)c34)ccc12.

What is the InChIKey of 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline?

The InChIKey is HRXKTZNFEUDUMM-DENIHFKCSA-N. The full InChI is InChI=1S/C31H30F2N6O/c1-19-15-38-18-34-29(33)27(38)16-39(19)30-24-12-11-21(23-9-3-6-20-7-4-10-25(32)28(20)23)14-26(24)35-31(36-30)40-17-22-8-5-13-37(22)2/h3-4,6-7,9-12,14,18-19,22H,5,8,13,15-17H2,1-2H3/t19-,22-/m1/s1.

What are the key properties of 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline?

4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline has a molecular weight of 540.62 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline is sourced from PubChem (CID 167225170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).