4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide

C22H30FN3O2 — CID 3746110

IUPAC4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C22H30FN3O2/c1-3-6-19-21(17-7-4-8-18(23)15-17)20(22(24)27)16(2)26(19)10-5-9-25-11-13-28-14-12-25/h4,7-8,15H,3,5-6,9-14H2,1-2H3,(H2,24,27)
InChIKeyATRRIJFGLZCICK-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.38
Rot. Bonds8

About 4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide

4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide (PubChem CID 3746110) has the molecular formula C22H30FN3O2 and a molecular weight of 387.50 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
PubChem CID3746110
Molecular FormulaC22H30FN3O2
Molecular Weight387.50 g/mol
Exact Mass387.23
IUPAC Name4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCCN1CCOCC1
InChIInChI=1S/C22H30FN3O2/c1-3-6-19-21(17-7-4-8-18(23)15-17)20(22(24)27)16(2)26(19)10-5-9-25-11-13-28-14-12-25/h4,7-8,15H,3,5-6,9-14H2,1-2H3,(H2,24,27)
InChIKeyATRRIJFGLZCICK-UHFFFAOYSA-N
XLogP3.38
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3480119
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
CID 3861344
5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 3608616
1,5-dibutyl-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3748139
1-(3,3-dimethylbutyl)-4-(3-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3445576
4-(3-fluorophenyl)-2-methyl-5-pentyl-1-propylpyrrole-3-carboxamide
CID 3697404
4-[4-(dimethylamino)phenyl]-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3666934
methyl 4-[2-butyl-4-carbamoyl-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]benzoate
CID 3854944
5-ethyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3836326
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 4585564
4-(3-fluorophenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3691039

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide?
The IUPAC name of 4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide (CID 3746110) is 4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide is CCCc1c(-c2cccc(F)c2)c(C(N)=O)c(C)n1CCCN1CCOCC1.
What is the InChIKey of 4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide?
The InChIKey is ATRRIJFGLZCICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O2/c1-3-6-19-21(17-7-4-8-18(23)15-17)20(22(24)27)16(2)26(19)10-5-9-25-11-13-28-14-12-25/h4,7-8,15H,3,5-6,9-14H2,1-2H3,(H2,24,27).
What are the key properties of 4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide?
4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide has a molecular weight of 387.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 3746110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).