2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

C28H32N6O4 — CID 174174579

About 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide

2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 174174579) has the molecular formula C28H32N6O4 and a molecular weight of 516.60 g/mol. Its IUPAC name is 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
• PubChem CID: 174174579
• Molecular Formula: C28H32N6O4
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.25
• IUPAC Name: 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
• SMILES: CC1CN(CCO1)C2=CC3=C(C=C2)OC(=N3)C4=CN=C(C5=CN=C(C=C54)NC(=O)C6CC6C(C)(C)O)NC
• InChI: InChI=1S/C28H32N6O4/c1-15-14-34(7-8-37-15)16-5-6-23-22(9-16)32-27(38-23)20-13-31-25(29-4)19-12-30-24(11-17(19)20)33-26(35)18-10-21(18)28(2,3)36/h5-6,9,11-13,15,18,21,36H,7-8,10,14H2,1-4H3,(H,29,31)(H,30,33,35)
• InChIKey: PFHOKVMTAADZBE-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 126.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: 861

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?

The IUPAC name of 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide (CID 174174579) is 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is CC1CN(CCO1)C2=CC3=C(C=C2)OC(=N3)C4=CN=C(C5=CN=C(C=C54)NC(=O)C6CC6C(C)(C)O)NC.

What is the InChIKey of 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?

The InChIKey is PFHOKVMTAADZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O4/c1-15-14-34(7-8-37-15)16-5-6-23-22(9-16)32-27(38-23)20-13-31-25(29-4)19-12-30-24(11-17(19)20)33-26(35)18-10-21(18)28(2,3)36/h5-6,9,11-13,15,18,21,36H,7-8,10,14H2,1-4H3,(H,29,31)(H,30,33,35).

What are the key properties of 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide?

2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 516.60 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxypropan-2-yl)-N-[8-(methylamino)-5-[5-(2-methylmorpholin-4-yl)-1,3-benzoxazol-2-yl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 174174579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).