7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C32H32F3N5O2 — CID 66721675

About 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 66721675) has the molecular formula C32H32F3N5O2 and a molecular weight of 575.64 g/mol. Its IUPAC name is 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• PubChem CID: 66721675
• Molecular Formula: C32H32F3N5O2
• Molecular Weight: 575.64 g/mol
• Exact Mass: 575.25
• IUPAC Name: 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• SMILES: Cn1cc(-c2cc(Oc3ccc4c(c3)CC(C(=O)Nc3cc(CN5CCCC5)cc(C(F)(F)F)c3)CC4)ccn2)cn1
• InChI: InChI=1S/C32H32F3N5O2/c1-39-20-25(18-37-39)30-17-29(8-9-36-30)42-28-7-6-22-4-5-23(14-24(22)15-28)31(41)38-27-13-21(19-40-10-2-3-11-40)12-26(16-27)32(33,34)35/h6-9,12-13,15-18,20,23H,2-5,10-11,14,19H2,1H3,(H,38,41)
• InChIKey: MTJWLDZFGIKWJH-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.64
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The IUPAC name of 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 66721675) is 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

What is the SMILES notation for 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The canonical SMILES for 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is Cn1cc(-c2cc(Oc3ccc4c(c3)CC(C(=O)Nc3cc(CN5CCCC5)cc(C(F)(F)F)c3)CC4)ccn2)cn1.

What is the InChIKey of 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The InChIKey is MTJWLDZFGIKWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N5O2/c1-39-20-25(18-37-39)30-17-29(8-9-36-30)42-28-7-6-22-4-5-23(14-24(22)15-28)31(41)38-27-13-21(19-40-10-2-3-11-40)12-26(16-27)32(33,34)35/h6-9,12-13,15-18,20,23H,2-5,10-11,14,19H2,1H3,(H,38,41).

What are the key properties of 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 575.64 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 66721675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).