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

C28H28F2N10 — CID 152669900

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(c2ccc(-c3n[nH]c(-c4cnn5ccc(N6CCC[C@@H]6c6cc(F)ccc6F)nc45)n3)cn2)CC1
InChIInChI=1S/C28H28F2N10/c1-37-11-13-38(14-12-37)24-7-4-18(16-31-24)26-34-27(36-35-26)21-17-32-40-10-8-25(33-28(21)40)39-9-2-3-23(39)20-15-19(29)5-6-22(20)30/h4-8,10,15-17,23H,2-3,9,11-14H2,1H3,(H,34,35,36)/t23-/m1/s1
InChIKeyZLHPLRWDLSHQCV-HSZRJFAPSA-N
MW542.60 g/mol
LogP3.95
Rot. Bonds5

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

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 152669900) has the molecular formula C28H28F2N10 and a molecular weight of 542.60 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID152669900
Molecular FormulaC28H28F2N10
Molecular Weight542.60 g/mol
Exact Mass542.25
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(c2ccc(-c3n[nH]c(-c4cnn5ccc(N6CCC[C@@H]6c6cc(F)ccc6F)nc45)n3)cn2)CC1
InChIInChI=1S/C28H28F2N10/c1-37-11-13-38(14-12-37)24-7-4-18(16-31-24)26-34-27(36-35-26)21-17-32-40-10-8-25(33-28(21)40)39-9-2-3-23(39)20-15-19(29)5-6-22(20)30/h4-8,10,15-17,23H,2-3,9,11-14H2,1H3,(H,34,35,36)/t23-/m1/s1
InChIKeyZLHPLRWDLSHQCV-HSZRJFAPSA-N
XLogP3.95
TPSA94.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.60
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Avapritinib
CID 118023034
Savolitinib
CID 68289010
Adipiplon
CID 11198924
Vactosertib
CID 54766013
Ly-2584702
CID 25118925
5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
PF-04981517
CID 71315139
CID 138105936
CID 138105936
1-[1-({4-[3-phenyl-5-(1H-1,2,4-triazol-3-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11421183
Pyrazole 79
CID 23647348

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine (CID 152669900) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-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-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine is CN1CCN(c2ccc(-c3n[nH]c(-c4cnn5ccc(N6CCC[C@@H]6c6cc(F)ccc6F)nc45)n3)cn2)CC1.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is ZLHPLRWDLSHQCV-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H28F2N10/c1-37-11-13-38(14-12-37)24-7-4-18(16-31-24)26-34-27(36-35-26)21-17-32-40-10-8-25(33-28(21)40)39-9-2-3-23(39)20-15-19(29)5-6-22(20)30/h4-8,10,15-17,23H,2-3,9,11-14H2,1H3,(H,34,35,36)/t23-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 542.60 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-1,2,4-triazol-5-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 152669900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).