N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C27H31FN4O3 — CID 60555157

IUPACN-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCc2[nH]c3c(C(=O)Nc4ccc(F)c(NC(=O)CCN5CCOCC5)c4)cccc3c2C1
InChIInChI=1S/C27H31FN4O3/c1-17-5-8-23-21(15-17)19-3-2-4-20(26(19)31-23)27(34)29-18-6-7-22(28)24(16-18)30-25(33)9-10-32-11-13-35-14-12-32/h2-4,6-7,16-17,31H,5,8-15H2,1H3,(H,29,34)(H,30,33)
InChIKeyGPHXJPZTAPLCHU-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.34
Rot. Bonds6

About N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 60555157) has the molecular formula C27H31FN4O3 and a molecular weight of 478.57 g/mol. Its IUPAC name is N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID60555157
Molecular FormulaC27H31FN4O3
Molecular Weight478.57 g/mol
Exact Mass478.24
IUPAC NameN-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCC1CCc2[nH]c3c(C(=O)Nc4ccc(F)c(NC(=O)CCN5CCOCC5)c4)cccc3c2C1
InChIInChI=1S/C27H31FN4O3/c1-17-5-8-23-21(15-17)19-3-2-4-20(26(19)31-23)27(34)29-18-6-7-22(28)24(16-18)30-25(33)9-10-32-11-13-35-14-12-32/h2-4,6-7,16-17,31H,5,8-15H2,1H3,(H,29,34)(H,30,33)
InChIKeyGPHXJPZTAPLCHU-UHFFFAOYSA-N
XLogP4.34
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 55678676
3-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]propanamide
CID 119849282
6-methyl-N-[3-(methylsulfonylmethyl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 71685691
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carbohydrazide
CID 84613636
1-cyclohexyl-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 60554945
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 60554946
6-methyl-N-pyridin-3-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 46437559
7-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylquinoline-4-carboxamide
CID 55784588
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-3-(5-phenyl-1H-pyrrol-2-yl)propanamide
CID 55964556
(2S)-2-amino-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-4-methylpentanamide
CID 119849290
4-bromo-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2,5-dimethylfuran-3-carboxamide
CID 55784620
2-cyano-N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-2-methylpropanamide
CID 60530456

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 60555157) is N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is CC1CCc2[nH]c3c(C(=O)Nc4ccc(F)c(NC(=O)CCN5CCOCC5)c4)cccc3c2C1.
What is the InChIKey of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is GPHXJPZTAPLCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O3/c1-17-5-8-23-21(15-17)19-3-2-4-20(26(19)31-23)27(34)29-18-6-7-22(28)24(16-18)30-25(33)9-10-32-11-13-35-14-12-32/h2-4,6-7,16-17,31H,5,8-15H2,1H3,(H,29,34)(H,30,33).
What are the key properties of N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 4.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(3-morpholin-4-ylpropanoylamino)phenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 60555157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).