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

C22H25FN4O2 — CID 156632963

IUPAC3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide
SMILESCc1c(NC(=O)CCNC2CCCC2)c[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C22H25FN4O2/c1-13-19(11-17-16-10-14(23)6-7-18(16)27-22(17)29)25-12-20(13)26-21(28)8-9-24-15-4-2-3-5-15/h6-7,10-12,15,24-25H,2-5,8-9H2,1H3,(H,26,28)(H,27,29)/b17-11-
InChIKeyQNUXENPCOUONPJ-BOPFTXTBSA-N
MW396.47 g/mol
LogP3.82
Rot. Bonds6

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

3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide (PubChem CID 156632963) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide.

Molecular Properties

Compound Name3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide
PubChem CID156632963
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC Name3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide
SMILESCc1c(NC(=O)CCNC2CCCC2)c[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21
InChIInChI=1S/C22H25FN4O2/c1-13-19(11-17-16-10-14(23)6-7-18(16)27-22(17)29)25-12-20(13)26-21(28)8-9-24-15-4-2-3-5-15/h6-7,10-12,15,24-25H,2-5,8-9H2,1H3,(H,26,28)(H,27,29)/b17-11-
InChIKeyQNUXENPCOUONPJ-BOPFTXTBSA-N
XLogP3.82
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide?
The IUPAC name of 3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide (CID 156632963) is 3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide.
What is the SMILES notation for 3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide?
The canonical SMILES for 3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide is Cc1c(NC(=O)CCNC2CCCC2)c[nH]c1/C=C1\C(=O)Nc2ccc(F)cc21.
What is the InChIKey of 3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide?
The InChIKey is QNUXENPCOUONPJ-BOPFTXTBSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-13-19(11-17-16-10-14(23)6-7-18(16)27-22(17)29)25-12-20(13)26-21(28)8-9-24-15-4-2-3-5-15/h6-7,10-12,15,24-25H,2-5,8-9H2,1H3,(H,26,28)(H,27,29)/b17-11-.
What are the key properties of 3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide?
3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide has a molecular weight of 396.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-N-[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanamide is sourced from PubChem (CID 156632963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).