azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride

C50H67ClF2N8O3 — CID 158616639

About azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride

azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride (PubChem CID 158616639) has the molecular formula C50H67ClF2N8O3 and a molecular weight of 901.59 g/mol. Its IUPAC name is azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride.

Molecular Properties

• Compound Name: azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride
• PubChem CID: 158616639
• Molecular Formula: C50H67ClF2N8O3
• Molecular Weight: 901.59 g/mol
• Exact Mass: 900.50
• IUPAC Name: azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride
• SMILES: C1CNC1.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(=O)CC1)C2.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(N3CCC3)CC1)C2.Cl
• InChI: InChI=1S/C25H33FN4O.C22H26FN3O2.C3H7N.ClH/c1-18-23-11-14-29(17-24(23)30(27-18)16-20-3-7-21(26)8-4-20)25(31)15-19-5-9-22(10-6-19)28-12-2-13-28;1-15-20-10-11-25(22(28)12-16-4-8-19(27)9-5-16)14-21(20)26(24-15)13-17-2-6-18(23)7-3-17;1-2-4-3-1;/h3-4,7-8,19,22H,2,5-6,9-17H2,1H3;2-3,6-7,16H,4-5,8-14H2,1H3;4H,1-3H2;1H
• InChIKey: JGQOVPFVRXFRTQ-UHFFFAOYSA-N
• XLogP: 7.73
• TPSA: 108.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	901.59
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride?

The IUPAC name of azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride (CID 158616639) is azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride.

What is the SMILES notation for azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride?

The canonical SMILES for azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride is C1CNC1.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(=O)CC1)C2.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(N3CCC3)CC1)C2.Cl.

What is the InChIKey of azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride?

The InChIKey is JGQOVPFVRXFRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4O.C22H26FN3O2.C3H7N.ClH/c1-18-23-11-14-29(17-24(23)30(27-18)16-20-3-7-21(26)8-4-20)25(31)15-19-5-9-22(10-6-19)28-12-2-13-28;1-15-20-10-11-25(22(28)12-16-4-8-19(27)9-5-16)14-21(20)26(24-15)13-17-2-6-18(23)7-3-17;1-2-4-3-1;/h3-4,7-8,19,22H,2,5-6,9-17H2,1H3;2-3,6-7,16H,4-5,8-14H2,1H3;4H,1-3H2;1H.

What are the key properties of azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride?

azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride has a molecular weight of 901.59 g/mol, XLogP of 7.73, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for azetidine;2-[4-(azetidin-1-yl)cyclohexyl]-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexan-1-one;hydrochloride is sourced from PubChem (CID 158616639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).