1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide

C26H35FN4O3 — CID 60554945

IUPAC1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c(C)n1C1CCCCC1
InChIInChI=1S/C26H35FN4O3/c1-18-16-22(19(2)31(18)21-6-4-3-5-7-21)26(33)28-20-8-9-23(27)24(17-20)29-25(32)10-11-30-12-14-34-15-13-30/h8-9,16-17,21H,3-7,10-15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyGDCLFIMZUUHOJZ-UHFFFAOYSA-N
MW470.59 g/mol
LogP4.66
Rot. Bonds7

About 1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide

1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 60554945) has the molecular formula C26H35FN4O3 and a molecular weight of 470.59 g/mol. Its IUPAC name is 1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID60554945
Molecular FormulaC26H35FN4O3
Molecular Weight470.59 g/mol
Exact Mass470.27
IUPAC Name1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c(C)n1C1CCCCC1
InChIInChI=1S/C26H35FN4O3/c1-18-16-22(19(2)31(18)21-6-4-3-5-7-21)26(33)28-20-8-9-23(27)24(17-20)29-25(32)10-11-30-12-14-34-15-13-30/h8-9,16-17,21H,3-7,10-15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyGDCLFIMZUUHOJZ-UHFFFAOYSA-N
XLogP4.66
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide with MolForge

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Related Compounds

3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55784620
7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide
CID 55784588
N-[2-fluoro-5-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]-3-morpholin-4-ylpropanamide
CID 55785751
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55784551
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119849257
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 60555157
N-[5-[[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-2-fluorophenyl]-3-morpholin-4-ylpropanamide
CID 55731977
5-(tert-butylsulfamoyl)-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]furan-2-carboxamide
CID 55784871

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide (CID 60554945) is 1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)c(C)n1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is GDCLFIMZUUHOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O3/c1-18-16-22(19(2)31(18)21-6-4-3-5-7-21)26(33)28-20-8-9-23(27)24(17-20)29-25(32)10-11-30-12-14-34-15-13-30/h8-9,16-17,21H,3-7,10-15H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of 1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide?
1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 470.59 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 60554945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).