N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide

About N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide

N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide (PubChem CID 70917209) has the molecular formula C25H30FN5O4 and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide.

Molecular Properties

Compound Name	N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide
PubChem CID	70917209
Molecular Formula	C25H30FN5O4
Molecular Weight	483.54 g/mol
Exact Mass	483.23
IUPAC Name	N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide
SMILES	CCNCCN1CCCc2[nH]c(/C=C3\C(=O)Nc4cc(NC(=O)COC)c(F)cc43)c(C)c2C1=O
InChI	InChI=1S/C25H30FN5O4/c1-4-27-7-9-31-8-5-6-18-23(25(31)34)14(2)19(28-18)11-16-15-10-17(26)21(29-22(32)13-35-3)12-20(15)30-24(16)33/h10-12,27-28H,4-9,13H2,1-3H3,(H,29,32)(H,30,33)/b16-11-
InChIKey	VTZYXIMUXODYRY-WJDWOHSUSA-N
XLogP	2.54
TPSA	115.56 Å²
H-Bond Donors	4
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.54
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide?

The IUPAC name of N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide (CID 70917209) is N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide.

What is the SMILES notation for N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide?

The canonical SMILES for N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide is CCNCCN1CCCc2[nH]c(/C=C3\C(=O)Nc4cc(NC(=O)COC)c(F)cc43)c(C)c2C1=O.

What is the InChIKey of N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide?

The InChIKey is VTZYXIMUXODYRY-WJDWOHSUSA-N. The full InChI is InChI=1S/C25H30FN5O4/c1-4-27-7-9-31-8-5-6-18-23(25(31)34)14(2)19(28-18)11-16-15-10-17(26)21(29-22(32)13-35-3)12-20(15)30-24(16)33/h10-12,27-28H,4-9,13H2,1-3H3,(H,29,32)(H,30,33)/b16-11-.

What are the key properties of N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide?

N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide has a molecular weight of 483.54 g/mol, XLogP of 2.54, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3Z)-3-[[5-[2-(ethylamino)ethyl]-3-methyl-4-oxo-1,6,7,8-tetrahydropyrrolo[3,2-c]azepin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-6-yl]-2-methoxyacetamide is sourced from PubChem (CID 70917209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).