5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine

C26H21F2N7O — CID 150117040

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc(-c5ccc6c(c5)OCC6)n[nH]4)c3n2)c1
InChIInChI=1S/C26H21F2N7O/c27-17-5-6-20(28)18(13-17)21-2-1-9-34(21)23-7-10-35-26(30-23)19(14-29-35)25-31-24(32-33-25)16-4-3-15-8-11-36-22(15)12-16/h3-7,10,12-14,21H,1-2,8-9,11H2,(H,31,32,33)/t21-/m1/s1
InChIKeyDYLPVZRQYJVYKF-OAQYLSRUSA-N
MW485.50 g/mol
LogP4.74
Rot. Bonds4

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 150117040) has the molecular formula C26H21F2N7O and a molecular weight of 485.50 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID150117040
Molecular FormulaC26H21F2N7O
Molecular Weight485.50 g/mol
Exact Mass485.18
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc(-c5ccc6c(c5)OCC6)n[nH]4)c3n2)c1
InChIInChI=1S/C26H21F2N7O/c27-17-5-6-20(28)18(13-17)21-2-1-9-34(21)23-7-10-35-26(30-23)19(14-29-35)25-31-24(32-33-25)16-4-3-15-8-11-36-22(15)12-16/h3-7,10,12-14,21H,1-2,8-9,11H2,(H,31,32,33)/t21-/m1/s1
InChIKeyDYLPVZRQYJVYKF-OAQYLSRUSA-N
XLogP4.74
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[5-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-3-yl]-1,2,3,4-tetrahydroquinoline
CID 157021520
1-[4-[5-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1H-1,2,4-triazol-3-yl]-2-pyridinyl]piperidin-4-ol
CID 150638050
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[5-(oxan-3-yl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine
CID 163606883
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
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
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(5,6-dimethoxy-1H-benzimidazol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 146660757
6-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-f][1,3]benzoxazole
CID 162503184
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-(1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 121394926
2-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-isocyano-1H-benzimidazole-5-carbonitrile
CID 162503188
5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-ethynylpyrazolo[1,5-a]pyrimidine
CID 121395277
[(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

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine (CID 150117040) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine is Fc1ccc(F)c([C@H]2CCCN2c2ccn3ncc(-c4nc(-c5ccc6c(c5)OCC6)n[nH]4)c3n2)c1.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DYLPVZRQYJVYKF-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H21F2N7O/c27-17-5-6-20(28)18(13-17)21-2-1-9-34(21)23-7-10-35-26(30-23)19(14-29-35)25-31-24(32-33-25)16-4-3-15-8-11-36-22(15)12-16/h3-7,10,12-14,21H,1-2,8-9,11H2,(H,31,32,33)/t21-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 485.50 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-(2,3-dihydro-1-benzofuran-6-yl)-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 150117040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).