5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine

C30H37N7 — CID 153348631

About 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine

5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine (PubChem CID 153348631) has the molecular formula C30H37N7 and a molecular weight of 495.68 g/mol. Its IUPAC name is 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine
• PubChem CID: 153348631
• Molecular Formula: C30H37N7
• Molecular Weight: 495.68 g/mol
• Exact Mass: 495.31
• IUPAC Name: 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine
• SMILES: CCC1=CC(c2ccc(-c3cnc4c(cnn4C)c3)cc2CC)=NN=C(N2CC3(CCN(C)CC3)C2)C1
• InChI: InChI=1S/C30H37N7/c1-5-21-13-27(33-34-28(14-21)37-19-30(20-37)9-11-35(3)12-10-30)26-8-7-23(15-22(26)6-2)24-16-25-18-32-36(4)29(25)31-17-24/h7-8,13,15-18H,5-6,9-12,14,19-20H2,1-4H3
• InChIKey: SJFGTTIHJFMMBL-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 61.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.68
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine?

The IUPAC name of 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine (CID 153348631) is 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine.

What is the SMILES notation for 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine?

The canonical SMILES for 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine is CCC1=CC(c2ccc(-c3cnc4c(cnn4C)c3)cc2CC)=NN=C(N2CC3(CCN(C)CC3)C2)C1.

What is the InChIKey of 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine?

The InChIKey is SJFGTTIHJFMMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7/c1-5-21-13-27(33-34-28(14-21)37-19-30(20-37)9-11-35(3)12-10-30)26-8-7-23(15-22(26)6-2)24-16-25-18-32-36(4)29(25)31-17-24/h7-8,13,15-18H,5-6,9-12,14,19-20H2,1-4H3.

What are the key properties of 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine?

5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine has a molecular weight of 495.68 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-ethyl-4-[5-ethyl-3-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)-4H-diazepin-7-yl]phenyl]-1-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 153348631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).