3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

C53H52F2N12O — CID 158238977

About 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile

3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (PubChem CID 158238977) has the molecular formula C53H52F2N12O and a molecular weight of 911.08 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
• PubChem CID: 158238977
• Molecular Formula: C53H52F2N12O
• Molecular Weight: 911.08 g/mol
• Exact Mass: 910.44
• IUPAC Name: 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile
• SMILES: CN1CCC(n2nc(-c3ccc(F)cc3)c3cnccc32)CC1.Fc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1.N#Cc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1
• InChI: InChI=1S/C18H19FN4.C18H16N4O.C17H17FN4/c1-22-10-7-15(8-11-22)23-17-6-9-20-12-16(17)18(21-23)13-2-4-14(19)5-3-13;19-11-13-1-3-14(4-2-13)18-16-12-20-8-5-17(16)22(21-18)15-6-9-23-10-7-15;18-13-3-1-12(2-4-13)17-15-11-20-10-7-16(15)22(21-17)14-5-8-19-9-6-14/h2-6,9,12,15H,7-8,10-11H2,1H3;1-5,8,12,15H,6-7,9-10H2;1-4,7,10-11,14,19H,5-6,8-9H2
• InChIKey: GFHSOUMHTWDUSX-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 140.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	911.08
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

The IUPAC name of 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile (CID 158238977) is 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile.

What is the SMILES notation for 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

The canonical SMILES for 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is CN1CCC(n2nc(-c3ccc(F)cc3)c3cnccc32)CC1.Fc1ccc(-c2nn(C3CCNCC3)c3ccncc23)cc1.N#Cc1ccc(-c2nn(C3CCOCC3)c3ccncc23)cc1.

What is the InChIKey of 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

The InChIKey is GFHSOUMHTWDUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4.C18H16N4O.C17H17FN4/c1-22-10-7-15(8-11-22)23-17-6-9-20-12-16(17)18(21-23)13-2-4-14(19)5-3-13;19-11-13-1-3-14(4-2-13)18-16-12-20-8-5-17(16)22(21-18)15-6-9-23-10-7-15;18-13-3-1-12(2-4-13)17-15-11-20-10-7-16(15)22(21-17)14-5-8-19-9-6-14/h2-6,9,12,15H,7-8,10-11H2,1H3;1-5,8,12,15H,6-7,9-10H2;1-4,7,10-11,14,19H,5-6,8-9H2.

What are the key properties of 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile?

3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile has a molecular weight of 911.08 g/mol, XLogP of 9.99, 6 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)pyrazolo[4,3-c]pyridine;3-(4-fluorophenyl)-1-piperidin-4-ylpyrazolo[4,3-c]pyridine;4-[1-(oxan-4-yl)pyrazolo[4,3-c]pyridin-3-yl]benzonitrile is sourced from PubChem (CID 158238977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).