4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide

C33H29FN8O6 — CID 138696361

IUPAC4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
SMILESO=C1CCC(N2C(=O)c3cccc(OCC(F)CNC(=O)c4cnc(Nc5ccc6cnccc6n5)cc4NC4CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C33H29FN8O6/c34-18(16-48-25-3-1-2-20-29(25)33(47)42(32(20)46)24-7-9-28(43)41-31(24)45)14-37-30(44)21-15-36-27(12-23(21)38-19-5-6-19)40-26-8-4-17-13-35-11-10-22(17)39-26/h1-4,8,10-13,15,18-19,24H,5-7,9,14,16H2,(H,37,44)(H,41,43,45)(H2,36,38,39,40)
InChIKeyLFRDWTSJSNZCJW-UHFFFAOYSA-N
MW652.64 g/mol
LogP2.89
Rot. Bonds11

About 4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide

4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide (PubChem CID 138696361) has the molecular formula C33H29FN8O6 and a molecular weight of 652.64 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
PubChem CID138696361
Molecular FormulaC33H29FN8O6
Molecular Weight652.64 g/mol
Exact Mass652.22
IUPAC Name4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
SMILESO=C1CCC(N2C(=O)c3cccc(OCC(F)CNC(=O)c4cnc(Nc5ccc6cnccc6n5)cc4NC4CC4)c3C2=O)C(=O)N1
InChIInChI=1S/C33H29FN8O6/c34-18(16-48-25-3-1-2-20-29(25)33(47)42(32(20)46)24-7-9-28(43)41-31(24)45)14-37-30(44)21-15-36-27(12-23(21)38-19-5-6-19)40-26-8-4-17-13-35-11-10-22(17)39-26/h1-4,8,10-13,15,18-19,24H,5-7,9,14,16H2,(H,37,44)(H,41,43,45)(H2,36,38,39,40)
InChIKeyLFRDWTSJSNZCJW-UHFFFAOYSA-N
XLogP2.89
TPSA184.61 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.64
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide (CID 138696361) is 4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide is O=C1CCC(N2C(=O)c3cccc(OCC(F)CNC(=O)c4cnc(Nc5ccc6cnccc6n5)cc4NC4CC4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?
The InChIKey is LFRDWTSJSNZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN8O6/c34-18(16-48-25-3-1-2-20-29(25)33(47)42(32(20)46)24-7-9-28(43)41-31(24)45)14-37-30(44)21-15-36-27(12-23(21)38-19-5-6-19)40-26-8-4-17-13-35-11-10-22(17)39-26/h1-4,8,10-13,15,18-19,24H,5-7,9,14,16H2,(H,37,44)(H,41,43,45)(H2,36,38,39,40).
What are the key properties of 4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?
4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide has a molecular weight of 652.64 g/mol, XLogP of 2.89, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[3-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-2-fluoropropyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 138696361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).