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

C18H17F2N5O2 — CID 165420842

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

[5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 165420842) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

• Compound Name: [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• PubChem CID: 165420842
• Molecular Formula: C18H17F2N5O2
• Molecular Weight: 373.36 g/mol
• Exact Mass: 373.14
• IUPAC Name: [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
• SMILES: COc1cccc(C2CN(C(=O)c3cc(C(F)F)[nH]n3)Cc3[nH]cnc32)c1
• InChI: InChI=1S/C18H17F2N5O2/c1-27-11-4-2-3-10(5-11)12-7-25(8-15-16(12)22-9-21-15)18(26)14-6-13(17(19)20)23-24-14/h2-6,9,12,17H,7-8H2,1H3,(H,21,22)(H,23,24)
• InChIKey: YFQDNEYXDLNNGX-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 86.90 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	373.36
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 165420842) is [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

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

The canonical SMILES for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1cccc(C2CN(C(=O)c3cc(C(F)F)[nH]n3)Cc3[nH]cnc32)c1.

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

The InChIKey is YFQDNEYXDLNNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-27-11-4-2-3-10(5-11)12-7-25(8-15-16(12)22-9-21-15)18(26)14-6-13(17(19)20)23-24-14/h2-6,9,12,17H,7-8H2,1H3,(H,21,22)(H,23,24).

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

[5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 373.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(difluoromethyl)-1H-pyrazol-3-yl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 165420842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).