1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid

C24H23F3N6O3 — CID 90187330

IUPAC1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22N6O.C2HF3O2/c1-16-5-2-3-6-19(16)28-13-9-18(25-28)22(29)24-17-8-12-27(15-17)21-20-7-4-11-26(20)14-10-23-21;3-2(4,5)1(6)7/h2-7,9-11,13-14,17H,8,12,15H2,1H3,(H,24,29);(H,6,7)/t17-;/m0./s1
InChIKeyUMYLSZRIHLBDFW-LMOVPXPDSA-N
MW500.48 g/mol
LogP3.47
Rot. Bonds4

About 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid

1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 90187330) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID90187330
Molecular FormulaC24H23F3N6O3
Molecular Weight500.48 g/mol
Exact Mass500.18
IUPAC Name1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H22N6O.C2HF3O2/c1-16-5-2-3-6-19(16)28-13-9-18(25-28)22(29)24-17-8-12-27(15-17)21-20-7-4-11-26(20)14-10-23-21;3-2(4,5)1(6)7/h2-7,9-11,13-14,17H,8,12,15H2,1H3,(H,24,29);(H,6,7)/t17-;/m0./s1
InChIKeyUMYLSZRIHLBDFW-LMOVPXPDSA-N
XLogP3.47
TPSA104.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid (CID 90187330) is 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccccc1-n1ccc(C(=O)N[C@H]2CCN(c3nccn4cccc34)C2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UMYLSZRIHLBDFW-LMOVPXPDSA-N. The full InChI is InChI=1S/C22H22N6O.C2HF3O2/c1-16-5-2-3-6-19(16)28-13-9-18(25-28)22(29)24-17-8-12-27(15-17)21-20-7-4-11-26(20)14-10-23-21;3-2(4,5)1(6)7/h2-7,9-11,13-14,17H,8,12,15H2,1H3,(H,24,29);(H,6,7)/t17-;/m0./s1.
What are the key properties of 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid?
1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 500.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[(3S)-1-pyrrolo[1,2-a]pyrazin-1-ylpyrrolidin-3-yl]pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90187330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).