N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide

C21H23FN4O2 — CID 156632976

IUPACN-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide
SMILESCc1c(NC(=O)CCN2CCCC2)c[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C21H23FN4O2/c1-13-18(11-16-15-10-14(22)4-5-17(15)25-21(16)28)23-12-19(13)24-20(27)6-9-26-7-2-3-8-26/h4-5,10-12,23H,2-3,6-9H2,1H3,(H,24,27)(H,25,28)/b16-11-
InChIKeyWSCLCZKFOUHIBA-WJDWOHSUSA-N
MW382.44 g/mol
LogP3.38
Rot. Bonds5

About N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide

N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 156632976) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide
PubChem CID156632976
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide
SMILESCc1c(NC(=O)CCN2CCCC2)c[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C21H23FN4O2/c1-13-18(11-16-15-10-14(22)4-5-17(15)25-21(16)28)23-12-19(13)24-20(27)6-9-26-7-2-3-8-26/h4-5,10-12,23H,2-3,6-9H2,1H3,(H,24,27)(H,25,28)/b16-11-
InChIKeyWSCLCZKFOUHIBA-WJDWOHSUSA-N
XLogP3.38
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Sunitinib
CID 5329102
Toceranib
CID 5329106
Vorolanib
CID 59215954
Famitinib
CID 16662431
Tafetinib
CID 56935577
N-Desethyl Sunitinib
CID 10292573
Toceranib Phosphate
CID 16034840
SU-014335
CID 11221549
N,N-Dimethyl Sunitinib
CID 5329105
N-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-5-yl]acetamide
CID 11323104
5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrrole-3-carboxamide
CID 5329109
N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrole-3-carboxamide
CID 5329101

Frequently Asked Questions

What is the IUPAC name of N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide (CID 156632976) is N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide is Cc1c(NC(=O)CCN2CCCC2)c[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21.
What is the InChIKey of N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is WSCLCZKFOUHIBA-WJDWOHSUSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13-18(11-16-15-10-14(22)4-5-17(15)25-21(16)28)23-12-19(13)24-20(27)6-9-26-7-2-3-8-26/h4-5,10-12,23H,2-3,6-9H2,1H3,(H,24,27)(H,25,28)/b16-11-.
What are the key properties of N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide?
N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 382.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 156632976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).