1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid

C21H24F3N5O4 — CID 118745480

IUPAC1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCCN1CCOCC1)c1ccn(-c2ccc3ccccn23)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N5O2.C2HF3O2/c25-19(20-8-3-9-22-12-14-26-15-13-22)17-7-11-24(21-17)18-6-5-16-4-1-2-10-23(16)18;3-2(4,5)1(6)7/h1-2,4-7,10-11H,3,8-9,12-15H2,(H,20,25);(H,6,7)
InChIKeySUCYYBDWPQOEBO-UHFFFAOYSA-N
MW467.45 g/mol
LogP2.21
Rot. Bonds6

About 1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid

1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118745480) has the molecular formula C21H24F3N5O4 and a molecular weight of 467.45 g/mol. Its IUPAC name is 1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118745480
Molecular FormulaC21H24F3N5O4
Molecular Weight467.45 g/mol
Exact Mass467.18
IUPAC Name1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCCCN1CCOCC1)c1ccn(-c2ccc3ccccn23)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H23N5O2.C2HF3O2/c25-19(20-8-3-9-22-12-14-26-15-13-22)17-7-11-24(21-17)18-6-5-16-4-1-2-10-23(16)18;3-2(4,5)1(6)7/h1-2,4-7,10-11H,3,8-9,12-15H2,(H,20,25);(H,6,7)
InChIKeySUCYYBDWPQOEBO-UHFFFAOYSA-N
XLogP2.21
TPSA101.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 49487496
N-(3-morpholin-4-ylpropyl)-5-phenyl-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44602326
3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155831030
N-(3-morpholin-4-ylpropyl)-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273397
N-(3-morpholin-4-ylpropyl)-1-phenyltriazole-4-carboxamide
CID 46407515
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
5-[(4-acetamidophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 163335935
2-(2-anilino-2-oxoethyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 39083495
N-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508149
3-[1-(dimethylcarbamoyl)pyrrolidin-2-yl]-N-(3-morpholin-4-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 131670872
1-[(4-bromopyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19271704
N-(3-morpholin-4-ylpropyl)-2-oxo-2-(2-phenylindolizin-3-yl)acetamide
CID 8707548

Frequently Asked Questions

What is the IUPAC name of 1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 118745480) is 1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCCCN1CCOCC1)c1ccn(-c2ccc3ccccn23)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SUCYYBDWPQOEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2.C2HF3O2/c25-19(20-8-3-9-22-12-14-26-15-13-22)17-7-11-24(21-17)18-6-5-16-4-1-2-10-23(16)18;3-2(4,5)1(6)7/h1-2,4-7,10-11H,3,8-9,12-15H2,(H,20,25);(H,6,7).
What are the key properties of 1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 467.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indolizin-3-yl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118745480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).