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

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

N-[(3E)-3-[[5-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide (PubChem CID 87072153) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(3E)-3-[[5-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide.

Molecular Properties

Compound Name	N-[(3E)-3-[[5-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide
PubChem CID	87072153
Molecular Formula	C22H25N5O3
Molecular Weight	407.47 g/mol
Exact Mass	407.20
IUPAC Name	N-[(3E)-3-[[5-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide
SMILES	Cc1c(/C=C2/C(=O)Nc3ccc(NC=O)cc32)[nH]c2c1C(=O)N(CCN(C)C)CC2
InChI	InChI=1S/C22H25N5O3/c1-13-19(24-18-6-7-27(9-8-26(2)3)22(30)20(13)18)11-16-15-10-14(23-12-28)4-5-17(15)25-21(16)29/h4-5,10-12,24H,6-9H2,1-3H3,(H,23,28)(H,25,29)/b16-11+
InChIKey	FYRKICUZJAVJBK-LFIBNONCSA-N
XLogP	1.94
TPSA	97.54 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

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

The IUPAC name of N-[(3E)-3-[[5-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide (CID 87072153) is N-[(3E)-3-[[5-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide.

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

The canonical SMILES for N-[(3E)-3-[[5-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide is Cc1c(/C=C2/C(=O)Nc3ccc(NC=O)cc32)[nH]c2c1C(=O)N(CCN(C)C)CC2.

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

The InChIKey is FYRKICUZJAVJBK-LFIBNONCSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13-19(24-18-6-7-27(9-8-26(2)3)22(30)20(13)18)11-16-15-10-14(23-12-28)4-5-17(15)25-21(16)29/h4-5,10-12,24H,6-9H2,1-3H3,(H,23,28)(H,25,29)/b16-11+.

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

N-[(3E)-3-[[5-[2-(dimethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide has a molecular weight of 407.47 g/mol, XLogP of 1.94, 6 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-(dimethylamino)ethyl]-3-methyl-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide is sourced from PubChem (CID 87072153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).