N-[(3Z)-5-fluoro-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-6-yl]acetamide

About N-[(3Z)-5-fluoro-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-6-yl]acetamide

N-[(3Z)-5-fluoro-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-6-yl]acetamide (PubChem CID 24742677) has the molecular formula C25H28FN5O4 and a molecular weight of 481.53 g/mol. Its IUPAC name is N-[(3Z)-5-fluoro-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-6-yl]acetamide.

Molecular Properties

Compound Name	N-[(3Z)-5-fluoro-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-6-yl]acetamide
PubChem CID	24742677
Molecular Formula	C25H28FN5O4
Molecular Weight	481.53 g/mol
Exact Mass	481.21
IUPAC Name	N-[(3Z)-5-fluoro-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-6-yl]acetamide
SMILES	CC(=O)Nc1cc2c(cc1F)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCN1CCOCC1)CC3)C(=O)N2
InChI	InChI=1S/C25H28FN5O4/c1-14-20(12-17-16-11-18(26)22(27-15(2)32)13-21(16)29-24(17)33)28-19-3-4-31(25(34)23(14)19)6-5-30-7-9-35-10-8-30/h11-13,28H,3-10H2,1-2H3,(H,27,32)(H,29,33)/b17-12-
InChIKey	QNRUFHFWXLOFAW-ATVHPVEESA-N
XLogP	2.24
TPSA	106.77 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.53
LogP ≤ 5	2.24
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-[(3Z)-5-fluoro-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-6-yl]acetamide?

The IUPAC name of N-[(3Z)-5-fluoro-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-6-yl]acetamide (CID 24742677) is N-[(3Z)-5-fluoro-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-6-yl]acetamide.

What is the SMILES notation for N-[(3Z)-5-fluoro-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-6-yl]acetamide?

The canonical SMILES for N-[(3Z)-5-fluoro-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-6-yl]acetamide is CC(=O)Nc1cc2c(cc1F)/C(=C/c1[nH]c3c(c1C)C(=O)N(CCN1CCOCC1)CC3)C(=O)N2.

What is the InChIKey of N-[(3Z)-5-fluoro-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-6-yl]acetamide?

The InChIKey is QNRUFHFWXLOFAW-ATVHPVEESA-N. The full InChI is InChI=1S/C25H28FN5O4/c1-14-20(12-17-16-11-18(26)22(27-15(2)32)13-21(16)29-24(17)33)28-19-3-4-31(25(34)23(14)19)6-5-30-7-9-35-10-8-30/h11-13,28H,3-10H2,1-2H3,(H,27,32)(H,29,33)/b17-12-.

What are the key properties of N-[(3Z)-5-fluoro-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-6-yl]acetamide?

N-[(3Z)-5-fluoro-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-6-yl]acetamide has a molecular weight of 481.53 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3Z)-5-fluoro-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-6-yl]acetamide is sourced from PubChem (CID 24742677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).