N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid

C24H24F3N5O3 — CID 155850650

IUPACN-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CCNC(=O)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N5O.C2HF3O2/c1-25(2)15-12-23-22(28)18-16-21(26-13-7-6-10-20(18)26)19-11-14-27(24-19)17-8-4-3-5-9-17;3-2(4,5)1(6)7/h3-11,13-14,16H,12,15H2,1-2H3,(H,23,28);(H,6,7)
InChIKeyOVEGKPFVSZMKOO-UHFFFAOYSA-N
MW487.48 g/mol
LogP3.72
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155850650) has the molecular formula C24H24F3N5O3 and a molecular weight of 487.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155850650
Molecular FormulaC24H24F3N5O3
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)CCNC(=O)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N5O.C2HF3O2/c1-25(2)15-12-23-22(28)18-16-21(26-13-7-6-10-20(18)26)19-11-14-27(24-19)17-8-4-3-5-9-17;3-2(4,5)1(6)7/h3-11,13-14,16H,12,15H2,1-2H3,(H,23,28);(H,6,7)
InChIKeyOVEGKPFVSZMKOO-UHFFFAOYSA-N
XLogP3.72
TPSA91.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155869533
3-[1-(4-fluorophenyl)pyrazol-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)indolizine-1-carboxamide
CID 97407421
[4-(dimethylamino)piperidin-1-yl]-[3-[1-(4-methoxyphenyl)pyrazol-3-yl]indolizin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155855131
3-(1-propan-2-ylimidazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155857144
3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide
CID 97446780
N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892553
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-ethyl-N-methyl-3-(1H-pyrazol-5-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155838221
3-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)indolizine-1-carboxamide
CID 97446816
3-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155860214
N-[2-(dimethylamino)ethyl]-5-methyl-6,6-dioxo-4H-imidazo[5,1-d][1,2,5]benzothiadiazepine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 155835604
3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155855355

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155850650) is N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is CN(C)CCNC(=O)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is OVEGKPFVSZMKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O.C2HF3O2/c1-25(2)15-12-23-22(28)18-16-21(26-13-7-6-10-20(18)26)19-11-14-27(24-19)17-8-4-3-5-9-17;3-2(4,5)1(6)7/h3-11,13-14,16H,12,15H2,1-2H3,(H,23,28);(H,6,7).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 487.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(1-phenylpyrazol-3-yl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).