7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C26H30ClN5O2 — CID 163223416

About 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 163223416) has the molecular formula C26H30ClN5O2 and a molecular weight of 480.01 g/mol. Its IUPAC name is 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 163223416
• Molecular Formula: C26H30ClN5O2
• Molecular Weight: 480.01 g/mol
• Exact Mass: 479.21
• IUPAC Name: 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: COC[C@H]1CC2CN(c3nc(OC)nc4c3CCN(c3cccc5cccc(Cl)c35)C4)CC1N2
• InChI: InChI=1S/C26H30ClN5O2/c1-33-15-17-11-18-12-32(13-21(17)28-18)25-19-9-10-31(14-22(19)29-26(30-25)34-2)23-8-4-6-16-5-3-7-20(27)24(16)23/h3-8,17-18,21,28H,9-15H2,1-2H3/t17-,18?,21?/m1/s1
• InChIKey: NTFMMQADBAEGAV-MPQSDHOMSA-N
• XLogP: 3.67
• TPSA: 62.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.01
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 163223416) is 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is COC[C@H]1CC2CN(c3nc(OC)nc4c3CCN(c3cccc5cccc(Cl)c35)C4)CC1N2.

What is the InChIKey of 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is NTFMMQADBAEGAV-MPQSDHOMSA-N. The full InChI is InChI=1S/C26H30ClN5O2/c1-33-15-17-11-18-12-32(13-21(17)28-18)25-19-9-10-31(14-22(19)29-26(30-25)34-2)23-8-4-6-16-5-3-7-20(27)24(16)23/h3-8,17-18,21,28H,9-15H2,1-2H3/t17-,18?,21?/m1/s1.

What are the key properties of 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 480.01 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(8-chloronaphthalen-1-yl)-2-methoxy-4-[(6S)-6-(methoxymethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 163223416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).