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

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

N-[(3E)-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]acetamide (PubChem CID 66612529) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[(3E)-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]acetamide.

Molecular Properties

Compound Name	N-[(3E)-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]acetamide
PubChem CID	66612529
Molecular Formula	C25H29N5O4
Molecular Weight	463.54 g/mol
Exact Mass	463.22
IUPAC Name	N-[(3E)-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]acetamide
SMILES	CC(=O)Nc1ccc2c(c1)/C(=C\c1[nH]c3c(c1C)C(=O)N(CCN1CCOCC1)CC3)C(=O)N2
InChI	InChI=1S/C25H29N5O4/c1-15-22(14-19-18-13-17(26-16(2)31)3-4-20(18)28-24(19)32)27-21-5-6-30(25(33)23(15)21)8-7-29-9-11-34-12-10-29/h3-4,13-14,27H,5-12H2,1-2H3,(H,26,31)(H,28,32)/b19-14+
InChIKey	OVVAHOMULAZTFF-XMHGGMMESA-N
XLogP	2.10
TPSA	106.77 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

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-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]acetamide?

The IUPAC name of N-[(3E)-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]acetamide (CID 66612529) is N-[(3E)-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]acetamide.

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

The canonical SMILES for N-[(3E)-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]acetamide is CC(=O)Nc1ccc2c(c1)/C(=C\c1[nH]c3c(c1C)C(=O)N(CCN1CCOCC1)CC3)C(=O)N2.

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

The InChIKey is OVVAHOMULAZTFF-XMHGGMMESA-N. The full InChI is InChI=1S/C25H29N5O4/c1-15-22(14-19-18-13-17(26-16(2)31)3-4-20(18)28-24(19)32)27-21-5-6-30(25(33)23(15)21)8-7-29-9-11-34-12-10-29/h3-4,13-14,27H,5-12H2,1-2H3,(H,26,31)(H,28,32)/b19-14+.

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

N-[(3E)-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]acetamide has a molecular weight of 463.54 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3E)-3-[[3-methyl-5-(2-morpholin-4-ylethyl)-4-oxo-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]acetamide is sourced from PubChem (CID 66612529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).