(4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H18ClFN4O — CID 95861166

About (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

(4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 95861166) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
• PubChem CID: 95861166
• Molecular Formula: C19H18ClFN4O
• Molecular Weight: 372.83 g/mol
• Exact Mass: 372.12
• IUPAC Name: (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
• SMILES: COc1c(F)cc([C@@H]2c3nc[nH]c3CCN2Cc2cccnc2)cc1Cl
• InChI: InChI=1S/C19H18ClFN4O/c1-26-19-14(20)7-13(8-15(19)21)18-17-16(23-11-24-17)4-6-25(18)10-12-3-2-5-22-9-12/h2-3,5,7-9,11,18H,4,6,10H2,1H3,(H,23,24)/t18-/m1/s1
• InChIKey: GQIXZGOUNDFQNL-GOSISDBHSA-N
• XLogP: 3.75
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.83
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The IUPAC name of (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 95861166) is (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

What is the SMILES notation for (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The canonical SMILES for (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is COc1c(F)cc([C@@H]2c3nc[nH]c3CCN2Cc2cccnc2)cc1Cl.

What is the InChIKey of (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The InChIKey is GQIXZGOUNDFQNL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c1-26-19-14(20)7-13(8-15(19)21)18-17-16(23-11-24-17)4-6-25(18)10-12-3-2-5-22-9-12/h2-3,5,7-9,11,18H,4,6,10H2,1H3,(H,23,24)/t18-/m1/s1.

What are the key properties of (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

(4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 372.83 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 95861166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).