3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol

C22H26N6O — CID 165422483

About 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol

3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol (PubChem CID 165422483) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol.

Molecular Properties

• Compound Name: 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
• PubChem CID: 165422483
• Molecular Formula: C22H26N6O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.22
• IUPAC Name: 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
• SMILES: Oc1cccc(C2CN(Cc3cnc(N4CCCCC4)nc3)Cc3[nH]cnc32)c1
• InChI: InChI=1S/C22H26N6O/c29-18-6-4-5-17(9-18)19-13-27(14-20-21(19)26-15-25-20)12-16-10-23-22(24-11-16)28-7-2-1-3-8-28/h4-6,9-11,15,19,29H,1-3,7-8,12-14H2,(H,25,26)
• InChIKey: YYPSIHHBDZIONB-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 81.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?

The IUPAC name of 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol (CID 165422483) is 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol.

What is the SMILES notation for 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?

The canonical SMILES for 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol is Oc1cccc(C2CN(Cc3cnc(N4CCCCC4)nc3)Cc3[nH]cnc32)c1.

What is the InChIKey of 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?

The InChIKey is YYPSIHHBDZIONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c29-18-6-4-5-17(9-18)19-13-27(14-20-21(19)26-15-25-20)12-16-10-23-22(24-11-16)28-7-2-1-3-8-28/h4-6,9-11,15,19,29H,1-3,7-8,12-14H2,(H,25,26).

What are the key properties of 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol?

3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol has a molecular weight of 390.49 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol is sourced from PubChem (CID 165422483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).