2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone

C24H25F2N9O — CID 121395060

IUPAC2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone
SMILESO=C(Cn1cc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)nn1)N1CCNCC1
InChIInChI=1S/C24H25F2N9O/c25-16-3-4-19(26)17(12-16)21-2-1-8-34(21)22-5-9-35-24(29-22)18(13-28-35)20-14-33(31-30-20)15-23(36)32-10-6-27-7-11-32/h3-5,9,12-14,21,27H,1-2,6-8,10-11,15H2
InChIKeyVCXOSRSDGWPZNA-UHFFFAOYSA-N
MW493.52 g/mol
LogP2.04
Rot. Bonds5

About 2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone

2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone (PubChem CID 121395060) has the molecular formula C24H25F2N9O and a molecular weight of 493.52 g/mol. Its IUPAC name is 2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone
PubChem CID121395060
Molecular FormulaC24H25F2N9O
Molecular Weight493.52 g/mol
Exact Mass493.22
IUPAC Name2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone
SMILESO=C(Cn1cc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)nn1)N1CCNCC1
InChIInChI=1S/C24H25F2N9O/c25-16-3-4-19(26)17(12-16)21-2-1-8-34(21)22-5-9-35-24(29-22)18(13-28-35)20-14-33(31-30-20)15-23(36)32-10-6-27-7-11-32/h3-5,9,12-14,21,27H,1-2,6-8,10-11,15H2
InChIKeyVCXOSRSDGWPZNA-UHFFFAOYSA-N
XLogP2.04
TPSA96.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.52
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone with MolForge

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Related Compounds

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 121394926
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 121394673
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-piperidin-4-yl-1,3,4-oxadiazole
CID 121395278
(3S)-N'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpiperazine-1-carboximidamide
CID 151872341
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 121395110
2-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-oxoacetic acid
CID 58386308
4-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]cyclohexan-1-ol
CID 156778134
1-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]-2,2,2-trifluoroethane-1,1-diol
CID 157021541
N'-cyclopropyl-N'-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]oxamide
CID 140663095
[(1S)-1-[3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl] (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 162503221
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-ethynylpyrazolo[1,5-a]pyrimidine
CID 121395277
2-[1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonyl]piperidin-4-yl]acetaldehyde
CID 88580144

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone (CID 121395060) is 2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone is O=C(Cn1cc(-c2cnn3ccc(N4CCCC4c4cc(F)ccc4F)nc23)nn1)N1CCNCC1.
What is the InChIKey of 2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone?
The InChIKey is VCXOSRSDGWPZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N9O/c25-16-3-4-19(26)17(12-16)21-2-1-8-34(21)22-5-9-35-24(29-22)18(13-28-35)20-14-33(31-30-20)15-23(36)32-10-6-27-7-11-32/h3-5,9,12-14,21,27H,1-2,6-8,10-11,15H2.
What are the key properties of 2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone?
2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone has a molecular weight of 493.52 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]triazol-1-yl]-1-piperazin-1-ylethanone is sourced from PubChem (CID 121395060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).