(4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C21H27N5O — CID 95198936

About (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95198936) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
• PubChem CID: 95198936
• Molecular Formula: C21H27N5O
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.22
• IUPAC Name: (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
• SMILES: COc1cccc([C@@H]2c3nc[nH]c3CCN2Cc2cc(C(C)(C)C)n[nH]2)c1
• InChI: InChI=1S/C21H27N5O/c1-21(2,3)18-11-15(24-25-18)12-26-9-8-17-19(23-13-22-17)20(26)14-6-5-7-16(10-14)27-4/h5-7,10-11,13,20H,8-9,12H2,1-4H3,(H,22,23)(H,24,25)/t20-/m1/s1
• InChIKey: QHJFLDSIVYSFFE-HXUWFJFHSA-N
• XLogP: 3.59
• TPSA: 69.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The IUPAC name of (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95198936) is (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

What is the SMILES notation for (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The canonical SMILES for (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is COc1cccc([C@@H]2c3nc[nH]c3CCN2Cc2cc(C(C)(C)C)n[nH]2)c1.

What is the InChIKey of (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The InChIKey is QHJFLDSIVYSFFE-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N5O/c1-21(2,3)18-11-15(24-25-18)12-26-9-8-17-19(23-13-22-17)20(26)14-6-5-7-16(10-14)27-4/h5-7,10-11,13,20H,8-9,12H2,1-4H3,(H,22,23)(H,24,25)/t20-/m1/s1.

What are the key properties of (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

(4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 365.48 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(3-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95198936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).