1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine

C52H70F2N8O5 — CID 160615189

About 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine

1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine (PubChem CID 160615189) has the molecular formula C52H70F2N8O5 and a molecular weight of 925.18 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine.

Molecular Properties

• Compound Name: 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine
• PubChem CID: 160615189
• Molecular Formula: C52H70F2N8O5
• Molecular Weight: 925.18 g/mol
• Exact Mass: 924.54
• IUPAC Name: 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine
• SMILES: C1COCCN1.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(=O)CC1)C2.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(N3CCOCC3)CC1)C2
• InChI: InChI=1S/C26H35FN4O2.C22H26FN3O2.C4H9NO/c1-19-24-10-11-30(18-25(24)31(28-19)17-21-2-6-22(27)7-3-21)26(32)16-20-4-8-23(9-5-20)29-12-14-33-15-13-29;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;1-3-6-4-2-5-1/h2-3,6-7,20,23H,4-5,8-18H2,1H3;2-3,6-7,16H,4-5,8-14H2,1H3;5H,1-4H2
• InChIKey: RFZPJGBVLXDDSA-UHFFFAOYSA-N
• XLogP: 6.56
• TPSA: 127.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.18
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine?

The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine (CID 160615189) is 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine.

What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine?

The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine is C1COCCN1.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(=O)CC1)C2.Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(N3CCOCC3)CC1)C2.

What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine?

The InChIKey is RFZPJGBVLXDDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O2.C22H26FN3O2.C4H9NO/c1-19-24-10-11-30(18-25(24)31(28-19)17-21-2-6-22(27)7-3-21)26(32)16-20-4-8-23(9-5-20)29-12-14-33-15-13-29;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;1-3-6-4-2-5-1/h2-3,6-7,20,23H,4-5,8-18H2,1H3;2-3,6-7,16H,4-5,8-14H2,1H3;5H,1-4H2.

What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine?

1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine has a molecular weight of 925.18 g/mol, XLogP of 6.56, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)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;morpholine is sourced from PubChem (CID 160615189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).