2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine

C32H22F5N5O2 — CID 169249303

About 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine

2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine (PubChem CID 169249303) has the molecular formula C32H22F5N5O2 and a molecular weight of 603.55 g/mol. Its IUPAC name is 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine.

Molecular Properties

• Compound Name: 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine
• PubChem CID: 169249303
• Molecular Formula: C32H22F5N5O2
• Molecular Weight: 603.55 g/mol
• Exact Mass: 603.17
• IUPAC Name: 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine
• SMILES: Cc1c(Oc2ncc(C(F)(F)F)c(C)c2-c2cc(OCc3ccccc3)c3c(-n4cccn4)nccc3n2)ccc(F)c1F
• InChI: InChI=1S/C32H22F5N5O2/c1-18-21(32(35,36)37)16-39-31(44-25-10-9-22(33)29(34)19(25)2)27(18)24-15-26(43-17-20-7-4-3-5-8-20)28-23(41-24)11-13-38-30(28)42-14-6-12-40-42/h3-16H,17H2,1-2H3
• InChIKey: UIGQMIWXVFDDPW-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 74.95 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.55
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine?

The IUPAC name of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine (CID 169249303) is 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine.

What is the SMILES notation for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine?

The canonical SMILES for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine is Cc1c(Oc2ncc(C(F)(F)F)c(C)c2-c2cc(OCc3ccccc3)c3c(-n4cccn4)nccc3n2)ccc(F)c1F.

What is the InChIKey of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine?

The InChIKey is UIGQMIWXVFDDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F5N5O2/c1-18-21(32(35,36)37)16-39-31(44-25-10-9-22(33)29(34)19(25)2)27(18)24-15-26(43-17-20-7-4-3-5-8-20)28-23(41-24)11-13-38-30(28)42-14-6-12-40-42/h3-16H,17H2,1-2H3.

What are the key properties of 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine?

2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine has a molecular weight of 603.55 g/mol, XLogP of 8.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,4-difluoro-2-methylphenoxy)-4-methyl-5-(trifluoromethyl)-3-pyridinyl]-4-phenylmethoxy-5-pyrazol-1-yl-1,6-naphthyridine is sourced from PubChem (CID 169249303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).