4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one

C23H21F4N7O2 — CID 149458049

IUPAC4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
SMILESC[C@H]1Cn2ncc(N3CC(Nc4ncc(F)cn4)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C23H21F4N7O2/c1-12-9-34-19(11-32(12)20(35)4-13-2-16(25)22(27)17(26)3-13)18(8-30-34)33-10-15(5-21(33)36)31-23-28-6-14(24)7-29-23/h2-3,6-8,12,15H,4-5,9-11H2,1H3,(H,28,29,31)/t12-,15?/m0/s1
InChIKeyYYYQTQVQPOWXPP-SFVWDYPZSA-N
MW503.46 g/mol
LogP2.42
Rot. Bonds5

About 4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one

4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one (PubChem CID 149458049) has the molecular formula C23H21F4N7O2 and a molecular weight of 503.46 g/mol. Its IUPAC name is 4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
PubChem CID149458049
Molecular FormulaC23H21F4N7O2
Molecular Weight503.46 g/mol
Exact Mass503.17
IUPAC Name4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
SMILESC[C@H]1Cn2ncc(N3CC(Nc4ncc(F)cn4)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C23H21F4N7O2/c1-12-9-34-19(11-32(12)20(35)4-13-2-16(25)22(27)17(26)3-13)18(8-30-34)33-10-15(5-21(33)36)31-23-28-6-14(24)7-29-23/h2-3,6-8,12,15H,4-5,9-11H2,1H3,(H,28,29,31)/t12-,15?/m0/s1
InChIKeyYYYQTQVQPOWXPP-SFVWDYPZSA-N
XLogP2.42
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-(4-{(1S,2S)-2-Amino-1-[(dimethylamino)carbonyl]-3-[(3S)-3-fluoropyrrolidin-1-YL]-3-oxopropyl}phenyl)-1H-[1,2,4]triazolo[1,5-A]pyridin-4-ium
CID 10320144
2-methyl-3-N-(2-phenylimidazo[1,2-a]pyrimidin-7-yl)-4-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyrazole-3,4-dicarboxamide
CID 53469250
5-N-[2-(3-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 69936421
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
2-(4-fluorophenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53326206
N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(1-methyl-1H-pyrazol-5-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283192
N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291191
US10513523, Example 172
CID 122656081
US10513523, Example 190
CID 122656171
Imidazo[1,2-a]pyrazin-8(5H)-one, 7-[(3,4-difluorophenyl)methyl]-6,7-dihydro-2-[5-methyl-2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]-
CID 129116809
(6S)-7-[(3,4-difluorophenyl)methyl]-6-methyl-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129136448
1,1,5'-Trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 167362923

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one (CID 149458049) is 4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one is C[C@H]1Cn2ncc(N3CC(Nc4ncc(F)cn4)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of 4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
The InChIKey is YYYQTQVQPOWXPP-SFVWDYPZSA-N. The full InChI is InChI=1S/C23H21F4N7O2/c1-12-9-34-19(11-32(12)20(35)4-13-2-16(25)22(27)17(26)3-13)18(8-30-34)33-10-15(5-21(33)36)31-23-28-6-14(24)7-29-23/h2-3,6-8,12,15H,4-5,9-11H2,1H3,(H,28,29,31)/t12-,15?/m0/s1.
What are the key properties of 4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one?
4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one has a molecular weight of 503.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoropyrimidin-2-yl)amino]-1-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 149458049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).