N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide

C28H27N5O3 — CID 166039796

About N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide

N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide (PubChem CID 166039796) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide.

Molecular Properties

• Compound Name: N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide
• PubChem CID: 166039796
• Molecular Formula: C28H27N5O3
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.21
• IUPAC Name: N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide
• SMILES: CC(Oc1cc(-c2cnn(C)c2)cnc1N)c1cccc(NC(=O)c2ccc3c(c2)C2(CC2)CO3)c1
• InChI: InChI=1S/C28H27N5O3/c1-17(36-25-12-20(13-30-26(25)29)21-14-31-33(2)15-21)18-4-3-5-22(10-18)32-27(34)19-6-7-24-23(11-19)28(8-9-28)16-35-24/h3-7,10-15,17H,8-9,16H2,1-2H3,(H2,29,30)(H,32,34)
• InChIKey: KEEQRNSMFROTFS-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 104.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide?

The IUPAC name of N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide (CID 166039796) is N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide.

What is the SMILES notation for N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide?

The canonical SMILES for N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide is CC(Oc1cc(-c2cnn(C)c2)cnc1N)c1cccc(NC(=O)c2ccc3c(c2)C2(CC2)CO3)c1.

What is the InChIKey of N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide?

The InChIKey is KEEQRNSMFROTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-17(36-25-12-20(13-30-26(25)29)21-14-31-33(2)15-21)18-4-3-5-22(10-18)32-27(34)19-6-7-24-23(11-19)28(8-9-28)16-35-24/h3-7,10-15,17H,8-9,16H2,1-2H3,(H2,29,30)(H,32,34).

What are the key properties of N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide?

N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]phenyl]spiro[2H-1-benzofuran-3,1'-cyclopropane]-5-carboxamide is sourced from PubChem (CID 166039796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).