2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride

C35H54ClFN8O4S — CID 166150942

About 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride

2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride (PubChem CID 166150942) has the molecular formula C35H54ClFN8O4S and a molecular weight of 737.39 g/mol. Its IUPAC name is 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride
• PubChem CID: 166150942
• Molecular Formula: C35H54ClFN8O4S
• Molecular Weight: 737.39 g/mol
• Exact Mass: 736.37
• IUPAC Name: 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride
• SMILES: CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC3CCN(S(=O)(=O)N4CCC(N)CC4)CC3)CC2)C1)C(C)C.Cl
• InChI: InChI=1S/C35H53FN8O4S.ClH/c1-25(2)44(26(3)4)34(45)30-19-28(36)5-6-31(30)48-32-20-38-24-39-33(32)41-22-35(23-41)11-17-40(18-12-35)21-27-7-13-42(14-8-27)49(46,47)43-15-9-29(37)10-16-43;/h5-6,19-20,24-27,29H,7-18,21-23,37H2,1-4H3;1H
• InChIKey: OEBWNHQTMMECRU-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 128.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	737.39
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride?

The IUPAC name of 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride (CID 166150942) is 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride.

What is the SMILES notation for 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride?

The canonical SMILES for 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride is CC(C)N(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(CC3CCN(S(=O)(=O)N4CCC(N)CC4)CC3)CC2)C1)C(C)C.Cl.

What is the InChIKey of 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride?

The InChIKey is OEBWNHQTMMECRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H53FN8O4S.ClH/c1-25(2)44(26(3)4)34(45)30-19-28(36)5-6-31(30)48-32-20-38-24-39-33(32)41-22-35(23-41)11-17-40(18-12-35)21-27-7-13-42(14-8-27)49(46,47)43-15-9-29(37)10-16-43;/h5-6,19-20,24-27,29H,7-18,21-23,37H2,1-4H3;1H.

What are the key properties of 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride?

2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride has a molecular weight of 737.39 g/mol, XLogP of 4.37, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[7-[[1-(4-aminopiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxy-5-fluoro-N,N-di(propan-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 166150942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).