N-[(3Z)-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]formamide

About N-[(3Z)-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]formamide

N-[(3Z)-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]formamide (PubChem CID 24742414) has the molecular formula C24H28FN5O3 and a molecular weight of 453.52 g/mol. Its IUPAC name is N-[(3Z)-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]formamide.

Molecular Properties

Compound Name	N-[(3Z)-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]formamide
PubChem CID	24742414
Molecular Formula	C24H28FN5O3
Molecular Weight	453.52 g/mol
Exact Mass	453.22
IUPAC Name	N-[(3Z)-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]formamide
SMILES	CCN(CC)CCN1CCc2[nH]c(/C=C3\C(=O)Nc4c(NC=O)cc(F)cc43)c(C)c2C1=O
InChI	InChI=1S/C24H28FN5O3/c1-4-29(5-2)8-9-30-7-6-18-21(24(30)33)14(3)19(27-18)12-17-16-10-15(25)11-20(26-13-31)22(16)28-23(17)32/h10-13,27H,4-9H2,1-3H3,(H,26,31)(H,28,32)/b17-12-
InChIKey	MTTIVIWUUKPXRV-ATVHPVEESA-N
XLogP	2.86
TPSA	97.54 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.52
LogP ≤ 5	2.86
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-[(3Z)-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]formamide?

The IUPAC name of N-[(3Z)-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]formamide (CID 24742414) is N-[(3Z)-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]formamide.

What is the SMILES notation for N-[(3Z)-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]formamide?

The canonical SMILES for N-[(3Z)-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]formamide is CCN(CC)CCN1CCc2[nH]c(/C=C3\C(=O)Nc4c(NC=O)cc(F)cc43)c(C)c2C1=O.

What is the InChIKey of N-[(3Z)-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]formamide?

The InChIKey is MTTIVIWUUKPXRV-ATVHPVEESA-N. The full InChI is InChI=1S/C24H28FN5O3/c1-4-29(5-2)8-9-30-7-6-18-21(24(30)33)14(3)19(27-18)12-17-16-10-15(25)11-20(26-13-31)22(16)28-23(17)32/h10-13,27H,4-9H2,1-3H3,(H,26,31)(H,28,32)/b17-12-.

What are the key properties of N-[(3Z)-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]formamide?

N-[(3Z)-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]formamide has a molecular weight of 453.52 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3Z)-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]formamide is sourced from PubChem (CID 24742414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).