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

C22H21N5O — CID 95213135

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

3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (PubChem CID 95213135) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.

Molecular Properties

• Compound Name: 3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
• PubChem CID: 95213135
• Molecular Formula: C22H21N5O
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.17
• IUPAC Name: 3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol
• SMILES: Oc1cccc([C@@H]2c3nc[nH]c3CCN2Cc2ccnn2-c2ccccc2)c1
• InChI: InChI=1S/C22H21N5O/c28-19-8-4-5-16(13-19)22-21-20(23-15-24-21)10-12-26(22)14-18-9-11-25-27(18)17-6-2-1-3-7-17/h1-9,11,13,15,22,28H,10,12,14H2,(H,23,24)/t22-/m1/s1
• InChIKey: LAROOFRHVBAPSF-JOCHJYFZSA-N
• XLogP: 3.45
• TPSA: 69.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol (CID 95213135) is 3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol.

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

The canonical SMILES for 3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is Oc1cccc([C@@H]2c3nc[nH]c3CCN2Cc2ccnn2-c2ccccc2)c1.

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

The InChIKey is LAROOFRHVBAPSF-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21N5O/c28-19-8-4-5-16(13-19)22-21-20(23-15-24-21)10-12-26(22)14-18-9-11-25-27(18)17-6-2-1-3-7-17/h1-9,11,13,15,22,28H,10,12,14H2,(H,23,24)/t22-/m1/s1.

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

3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol has a molecular weight of 371.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenol is sourced from PubChem (CID 95213135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).