N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

About N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 143515092) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name	N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID	143515092
Molecular Formula	C22H27FN4O2
Molecular Weight	398.48 g/mol
Exact Mass	398.21
IUPAC Name	N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILES	CCN1CCc2[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c(C)c2C1=O.CN(C)C
InChI	InChI=1S/C19H18FN3O2.C3H9N/c1-3-23-7-6-15-17(19(23)25)10(2)16(21-15)9-13-12-8-11(20)4-5-14(12)22-18(13)24;1-4(2)3/h4-5,8-9,21H,3,6-7H2,1-2H3,(H,22,24);1-3H3/b13-9-;
InChIKey	IFAOTBLSRNHPGY-CHHCPSLASA-N
XLogP	3.15
TPSA	68.44 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.48
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

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,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 143515092) is N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CCN1CCc2[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c(C)c2C1=O.CN(C)C.

What is the InChIKey of N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The InChIKey is IFAOTBLSRNHPGY-CHHCPSLASA-N. The full InChI is InChI=1S/C19H18FN3O2.C3H9N/c1-3-23-7-6-15-17(19(23)25)10(2)16(21-15)9-13-12-8-11(20)4-5-14(12)22-18(13)24;1-4(2)3/h4-5,8-9,21H,3,6-7H2,1-2H3,(H,22,24);1-3H3/b13-9-;.

What are the key properties of N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 398.48 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethylmethanamine;5-ethyl-2-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 143515092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).