1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide

C43H41N7O6 — CID 151893916

About 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide

1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide (PubChem CID 151893916) has the molecular formula C43H41N7O6 and a molecular weight of 751.84 g/mol. Its IUPAC name is 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide.

Molecular Properties

• Compound Name: 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
• PubChem CID: 151893916
• Molecular Formula: C43H41N7O6
• Molecular Weight: 751.84 g/mol
• Exact Mass: 751.31
• IUPAC Name: 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
• SMILES: C[C@@H]1COCCN1c1cc(OCCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccccc3Oc3cccc(N(C)C)c32)c2ccnc(-c3ccn[nH]3)c2n1
• InChI: InChI=1S/C43H41N7O6/c1-26-25-53-22-20-50(26)37-24-36(28-15-18-44-40(39(28)47-37)32-16-19-46-48-32)54-21-7-6-17-45-41(51)27-13-14-30-29(23-27)42(52)56-43(30)31-9-4-5-11-34(31)55-35-12-8-10-33(38(35)43)49(2)3/h4-5,8-16,18-19,23-24,26H,6-7,17,20-22,25H2,1-3H3,(H,45,51)(H,46,48)/t26-,43?/m1/s1
• InChIKey: SRHSDGMMINIERU-GUCNAEIESA-N
• XLogP: 6.47
• TPSA: 144.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	751.84
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?

The IUPAC name of 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide (CID 151893916) is 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide.

What is the SMILES notation for 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?

The canonical SMILES for 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide is C[C@@H]1COCCN1c1cc(OCCCCNC(=O)c2ccc3c(c2)C(=O)OC32c3ccccc3Oc3cccc(N(C)C)c32)c2ccnc(-c3ccn[nH]3)c2n1.

What is the InChIKey of 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?

The InChIKey is SRHSDGMMINIERU-GUCNAEIESA-N. The full InChI is InChI=1S/C43H41N7O6/c1-26-25-53-22-20-50(26)37-24-36(28-15-18-44-40(39(28)47-37)32-16-19-46-48-32)54-21-7-6-17-45-41(51)27-13-14-30-29(23-27)42(52)56-43(30)31-9-4-5-11-34(31)55-35-12-8-10-33(38(35)43)49(2)3/h4-5,8-16,18-19,23-24,26H,6-7,17,20-22,25H2,1-3H3,(H,45,51)(H,46,48)/t26-,43?/m1/s1.

What are the key properties of 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide?

1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide has a molecular weight of 751.84 g/mol, XLogP of 6.47, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide is sourced from PubChem (CID 151893916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).