N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride

C26H36ClN7O2 — CID 175862917

About N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride

N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride (PubChem CID 175862917) has the molecular formula C26H36ClN7O2 and a molecular weight of 514.07 g/mol. Its IUPAC name is N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride
• PubChem CID: 175862917
• Molecular Formula: C26H36ClN7O2
• Molecular Weight: 514.07 g/mol
• Exact Mass: 513.26
• IUPAC Name: N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride
• SMILES: Cl.NCC1C2CN(CCc3ccc(-n4ccc(NC(=O)N5CCC6(CC5)CNC6)nc4=O)cc3)CC12
• InChI: InChI=1S/C26H35N7O2.ClH/c27-13-20-21-14-31(15-22(20)21)9-5-18-1-3-19(4-2-18)33-10-6-23(30-25(33)35)29-24(34)32-11-7-26(8-12-32)16-28-17-26;/h1-4,6,10,20-22,28H,5,7-9,11-17,27H2,(H,29,30,34,35);1H
• InChIKey: GLPKKJJRPWWNQG-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 108.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.07
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride?

The IUPAC name of N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride (CID 175862917) is N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride.

What is the SMILES notation for N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride?

The canonical SMILES for N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride is Cl.NCC1C2CN(CCc3ccc(-n4ccc(NC(=O)N5CCC6(CC5)CNC6)nc4=O)cc3)CC12.

What is the InChIKey of N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride?

The InChIKey is GLPKKJJRPWWNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2.ClH/c27-13-20-21-14-31(15-22(20)21)9-5-18-1-3-19(4-2-18)33-10-6-23(30-25(33)35)29-24(34)32-11-7-26(8-12-32)16-28-17-26;/h1-4,6,10,20-22,28H,5,7-9,11-17,27H2,(H,29,30,34,35);1H.

What are the key properties of N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride?

N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride has a molecular weight of 514.07 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[2-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]-2-oxopyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxamide;hydrochloride is sourced from PubChem (CID 175862917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).