7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C29H31ClN6O2 — CID 167225521

About 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 167225521) has the molecular formula C29H31ClN6O2 and a molecular weight of 531.06 g/mol. Its IUPAC name is 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 167225521
• Molecular Formula: C29H31ClN6O2
• Molecular Weight: 531.06 g/mol
• Exact Mass: 530.22
• IUPAC Name: 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: C[C@@H]1Cn2cncc2CN1c1nc(OC[C@@H]2CCCO2)nc2c1CCN(c1cccc3cccc(Cl)c13)C2
• InChI: InChI=1S/C29H31ClN6O2/c1-19-14-35-18-31-13-21(35)15-36(19)28-23-10-11-34(26-9-3-6-20-5-2-8-24(30)27(20)26)16-25(23)32-29(33-28)38-17-22-7-4-12-37-22/h2-3,5-6,8-9,13,18-19,22H,4,7,10-12,14-17H2,1H3/t19-,22+/m1/s1
• InChIKey: YJFTZZSWUKCMBV-KNQAVFIVSA-N
• XLogP: 5.01
• TPSA: 68.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.06
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 167225521) is 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is C[C@@H]1Cn2cncc2CN1c1nc(OC[C@@H]2CCCO2)nc2c1CCN(c1cccc3cccc(Cl)c13)C2.

What is the InChIKey of 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is YJFTZZSWUKCMBV-KNQAVFIVSA-N. The full InChI is InChI=1S/C29H31ClN6O2/c1-19-14-35-18-31-13-21(35)15-36(19)28-23-10-11-34(26-9-3-6-20-5-2-8-24(30)27(20)26)16-25(23)32-29(33-28)38-17-22-7-4-12-37-22/h2-3,5-6,8-9,13,18-19,22H,4,7,10-12,14-17H2,1H3/t19-,22+/m1/s1.

What are the key properties of 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 531.06 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(8-chloronaphthalen-1-yl)-4-[(6R)-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 167225521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).