2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol

C32H47N7O — CID 166459652

About 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol

2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol (PubChem CID 166459652) has the molecular formula C32H47N7O and a molecular weight of 545.78 g/mol. Its IUPAC name is 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol.

Molecular Properties

• Compound Name: 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
• PubChem CID: 166459652
• Molecular Formula: C32H47N7O
• Molecular Weight: 545.78 g/mol
• Exact Mass: 545.38
• IUPAC Name: 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol
• SMILES: CC1c2c([nH]c(N)c2/C=C(\N)c2ccccc2O)CCN1C1CCN(C2CCN(C3CC4(CNC4)C3)CC2)CC1
• InChI: InChI=1S/C32H47N7O/c1-21-30-26(16-27(33)25-4-2-3-5-29(25)40)31(34)36-28(30)10-15-39(21)23-8-13-37(14-9-23)22-6-11-38(12-7-22)24-17-32(18-24)19-35-20-32/h2-5,16,21-24,35-36,40H,6-15,17-20,33-34H2,1H3/b27-16-
• InChIKey: SJGKLRQOMMVHSZ-YUMHPJSZSA-N
• XLogP: 3.36
• TPSA: 109.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.78
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol?

The IUPAC name of 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol (CID 166459652) is 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol.

What is the SMILES notation for 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol?

The canonical SMILES for 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol is CC1c2c([nH]c(N)c2/C=C(\N)c2ccccc2O)CCN1C1CCN(C2CCN(C3CC4(CNC4)C3)CC2)CC1.

What is the InChIKey of 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol?

The InChIKey is SJGKLRQOMMVHSZ-YUMHPJSZSA-N. The full InChI is InChI=1S/C32H47N7O/c1-21-30-26(16-27(33)25-4-2-3-5-29(25)40)31(34)36-28(30)10-15-39(21)23-8-13-37(14-9-23)22-6-11-38(12-7-22)24-17-32(18-24)19-35-20-32/h2-5,16,21-24,35-36,40H,6-15,17-20,33-34H2,1H3/b27-16-.

What are the key properties of 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol?

2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol has a molecular weight of 545.78 g/mol, XLogP of 3.36, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-1-amino-2-[2-amino-5-[1-[1-(2-azaspiro[3.3]heptan-6-yl)piperidin-4-yl]piperidin-4-yl]-4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-3-yl]ethenyl]phenol is sourced from PubChem (CID 166459652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).