5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine

C22H22F2N8 — CID 121394673

IUPAC5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4cn(C5CCNC5)nn4)c3n2)c1
InChIInChI=1S/C22H22F2N8/c23-14-3-4-18(24)16(10-14)20-2-1-8-30(20)21-6-9-31-22(27-21)17(12-26-31)19-13-32(29-28-19)15-5-7-25-11-15/h3-4,6,9-10,12-13,15,20,25H,1-2,5,7-8,11H2
InChIKeyFRGDWGIWUMMANP-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.14
Rot. Bonds4

About 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine

5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 121394673) has the molecular formula C22H22F2N8 and a molecular weight of 436.47 g/mol. Its IUPAC name is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID121394673
Molecular FormulaC22H22F2N8
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4cn(C5CCNC5)nn4)c3n2)c1
InChIInChI=1S/C22H22F2N8/c23-14-3-4-18(24)16(10-14)20-2-1-8-30(20)21-6-9-31-22(27-21)17(12-26-31)19-13-32(29-28-19)15-5-7-25-11-15/h3-4,6,9-10,12-13,15,20,25H,1-2,5,7-8,11H2
InChIKeyFRGDWGIWUMMANP-UHFFFAOYSA-N
XLogP3.14
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
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
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
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-ethynylpyrazolo[1,5-a]pyrimidine
CID 121395277
(3S)-1-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyrrolidin-3-ol
CID 121333491
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-iodopyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
CID 138690076
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
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 156778152
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 121395110
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(4-ethylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
CID 170223234
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 67500261

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine (CID 121394673) is 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine is Fc1ccc(F)c(C2CCCN2c2ccn3ncc(-c4cn(C5CCNC5)nn4)c3n2)c1.
What is the InChIKey of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is FRGDWGIWUMMANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N8/c23-14-3-4-18(24)16(10-14)20-2-1-8-30(20)21-6-9-31-22(27-21)17(12-26-31)19-13-32(29-28-19)15-5-7-25-11-15/h3-4,6,9-10,12-13,15,20,25H,1-2,5,7-8,11H2.
What are the key properties of 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine?
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 436.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(1-pyrrolidin-3-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 121394673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).