5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

C27H33N7O — CID 170016548

About 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile

5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (PubChem CID 170016548) has the molecular formula C27H33N7O and a molecular weight of 471.61 g/mol. Its IUPAC name is 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
• PubChem CID: 170016548
• Molecular Formula: C27H33N7O
• Molecular Weight: 471.61 g/mol
• Exact Mass: 471.27
• IUPAC Name: 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile
• SMILES: Cc1nn(C2CN(CC3CN(c4ccc(C#N)c5ncccc45)CC(C)O3)C2)c2c1CN(C)CC2
• InChI: InChI=1S/C27H33N7O/c1-18-12-33(25-7-6-20(11-28)27-23(25)5-4-9-29-27)16-22(35-18)15-32-13-21(14-32)34-26-8-10-31(3)17-24(26)19(2)30-34/h4-7,9,18,21-22H,8,10,12-17H2,1-3H3
• InChIKey: YXHKWJCKFKBXMT-UHFFFAOYSA-N
• XLogP: 2.75
• TPSA: 73.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.61
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?

The IUPAC name of 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile (CID 170016548) is 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile.

What is the SMILES notation for 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?

The canonical SMILES for 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is Cc1nn(C2CN(CC3CN(c4ccc(C#N)c5ncccc45)CC(C)O3)C2)c2c1CN(C)CC2.

What is the InChIKey of 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?

The InChIKey is YXHKWJCKFKBXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O/c1-18-12-33(25-7-6-20(11-28)27-23(25)5-4-9-29-27)16-22(35-18)15-32-13-21(14-32)34-26-8-10-31(3)17-24(26)19(2)30-34/h4-7,9,18,21-22H,8,10,12-17H2,1-3H3.

What are the key properties of 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile?

5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile has a molecular weight of 471.61 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[[3-(3,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)azetidin-1-yl]methyl]-6-methylmorpholin-4-yl]quinoline-8-carbonitrile is sourced from PubChem (CID 170016548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).