N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide

About N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide

N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide (PubChem CID 66607958) has the molecular formula C25H30FN5O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide.

Molecular Properties

Compound Name	N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide
PubChem CID	66607958
Molecular Formula	C25H30FN5O3
Molecular Weight	467.55 g/mol
Exact Mass	467.23
IUPAC Name	N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide
SMILES	CCN(CC)CCN1CCc2[nH]c(/C=C3/C(=O)Nc4c(NC(C)=O)cc(F)cc43)c(C)c2C1=O
InChI	InChI=1S/C25H30FN5O3/c1-5-30(6-2)9-10-31-8-7-19-22(25(31)34)14(3)20(28-19)13-18-17-11-16(26)12-21(27-15(4)32)23(17)29-24(18)33/h11-13,28H,5-10H2,1-4H3,(H,27,32)(H,29,33)/b18-13+
InChIKey	POFLGDQRFZPNKE-QGOAFFKASA-N
XLogP	3.25
TPSA	97.54 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide?

The IUPAC name of N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide (CID 66607958) is N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide.

What is the SMILES notation for N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide?

The canonical SMILES for N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide is CCN(CC)CCN1CCc2[nH]c(/C=C3/C(=O)Nc4c(NC(C)=O)cc(F)cc43)c(C)c2C1=O.

What is the InChIKey of N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide?

The InChIKey is POFLGDQRFZPNKE-QGOAFFKASA-N. The full InChI is InChI=1S/C25H30FN5O3/c1-5-30(6-2)9-10-31-8-7-19-22(25(31)34)14(3)20(28-19)13-18-17-11-16(26)12-21(27-15(4)32)23(17)29-24(18)33/h11-13,28H,5-10H2,1-4H3,(H,27,32)(H,29,33)/b18-13+.

What are the key properties of N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide?

N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide has a molecular weight of 467.55 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3E)-3-[[5-[2-(diethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-5-fluoro-2-oxo-1H-indol-7-yl]acetamide is sourced from PubChem (CID 66607958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).