1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one

C19H21N5O2 — CID 164696999

About 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one

1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one (PubChem CID 164696999) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
• PubChem CID: 164696999
• Molecular Formula: C19H21N5O2
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.17
• IUPAC Name: 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
• SMILES: COc1cccc(C2CN(C(=O)CCc3cn[nH]c3)Cc3[nH]cnc32)c1
• InChI: InChI=1S/C19H21N5O2/c1-26-15-4-2-3-14(7-15)16-10-24(11-17-19(16)21-12-20-17)18(25)6-5-13-8-22-23-9-13/h2-4,7-9,12,16H,5-6,10-11H2,1H3,(H,20,21)(H,22,23)
• InChIKey: JNCHBVQJXREQPP-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 86.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one?

The IUPAC name of 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one (CID 164696999) is 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one.

What is the SMILES notation for 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one?

The canonical SMILES for 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one is COc1cccc(C2CN(C(=O)CCc3cn[nH]c3)Cc3[nH]cnc32)c1.

What is the InChIKey of 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one?

The InChIKey is JNCHBVQJXREQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-15-4-2-3-14(7-15)16-10-24(11-17-19(16)21-12-20-17)18(25)6-5-13-8-22-23-9-13/h2-4,7-9,12,16H,5-6,10-11H2,1H3,(H,20,21)(H,22,23).

What are the key properties of 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one?

1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one has a molecular weight of 351.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one is sourced from PubChem (CID 164696999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).