(4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C20H22N8 — CID 95196713

About (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95196713) has the molecular formula C20H22N8 and a molecular weight of 374.45 g/mol. Its IUPAC name is (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
• PubChem CID: 95196713
• Molecular Formula: C20H22N8
• Molecular Weight: 374.45 g/mol
• Exact Mass: 374.20
• IUPAC Name: (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
• SMILES: CCn1ccnc1CN1CCc2[nH]cnc2[C@H]1c1cccn1-c1ncccn1
• InChI: InChI=1S/C20H22N8/c1-2-26-12-9-21-17(26)13-27-11-6-15-18(25-14-24-15)19(27)16-5-3-10-28(16)20-22-7-4-8-23-20/h3-5,7-10,12,14,19H,2,6,11,13H2,1H3,(H,24,25)/t19-/m1/s1
• InChIKey: YCUHVTJVPXPUIQ-LJQANCHMSA-N
• XLogP: 2.35
• TPSA: 80.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.45
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The IUPAC name of (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95196713) is (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

What is the SMILES notation for (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The canonical SMILES for (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCn1ccnc1CN1CCc2[nH]cnc2[C@H]1c1cccn1-c1ncccn1.

What is the InChIKey of (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The InChIKey is YCUHVTJVPXPUIQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N8/c1-2-26-12-9-21-17(26)13-27-11-6-15-18(25-14-24-15)19(27)16-5-3-10-28(16)20-22-7-4-8-23-20/h3-5,7-10,12,14,19H,2,6,11,13H2,1H3,(H,24,25)/t19-/m1/s1.

What are the key properties of (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

(4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 374.45 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-[(1-ethylimidazol-2-yl)methyl]-4-(1-pyrimidin-2-ylpyrrol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95196713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).