3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid

C25H24F3N5O3 — CID 155855527

IUPAC3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1ccccn1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23N5O.C2HF3O2/c29-23(25-16-17-7-3-5-12-24-17)19-15-22(27-14-6-4-10-20(19)27)21-11-13-26-28(21)18-8-1-2-9-18;3-2(4,5)1(6)7/h3-7,10-15,18H,1-2,8-9,16H2,(H,25,29);(H,6,7)
InChIKeyJNYUTVWJJDYLSF-UHFFFAOYSA-N
MW499.49 g/mol
LogP4.88
Rot. Bonds5

About 3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid

3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155855527) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is 3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155855527
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC Name3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NCc1ccccn1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23N5O.C2HF3O2/c29-23(25-16-17-7-3-5-12-24-17)19-15-22(27-14-6-4-10-20(19)27)21-11-13-26-28(21)18-8-1-2-9-18;3-2(4,5)1(6)7/h3-7,10-15,18H,1-2,8-9,16H2,(H,25,29);(H,6,7)
InChIKeyJNYUTVWJJDYLSF-UHFFFAOYSA-N
XLogP4.88
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-cyclopentylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155851791
3-(2-cyclopentylpyrazol-3-yl)-N-[2-(dimethylamino)ethyl]indolizine-1-carboxamide
CID 97446780
3-(1-methylpyrazol-3-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155869533
3-(1-cyclopentylpyrazol-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155855355
3-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109066674
3-(1-cyclopentylpyrazol-3-yl)-N-(pyridin-4-ylmethyl)indolizine-1-carboxamide
CID 97446740
2-cyclohexyl-9-methyl-1-oxo-N-(pyridin-2-ylmethyl)pyrido[3,4-b]indole-4-carboxamide
CID 20851915
1-cyclopentyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 35762704
N-(pyridin-2-ylmethyl)-2-pyrrol-1-ylbenzamide
CID 39047420
1-N-[(2-methylphenyl)methyl]-3-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070302
5-(3-methylbutanoyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 155860095
3-N-(2-fluorophenyl)-1-N-(pyridin-2-ylmethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070597

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 155855527) is 3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is O=C(NCc1ccccn1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is JNYUTVWJJDYLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O.C2HF3O2/c29-23(25-16-17-7-3-5-12-24-17)19-15-22(27-14-6-4-10-20(19)27)21-11-13-26-28(21)18-8-1-2-9-18;3-2(4,5)1(6)7/h3-7,10-15,18H,1-2,8-9,16H2,(H,25,29);(H,6,7).
What are the key properties of 3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid?
3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 499.49 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylpyrazol-3-yl)-N-(pyridin-2-ylmethyl)indolizine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155855527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).