5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine

C21H20F2N6O — CID 150064789

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)n(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)n1
InChIInChI=1S/C21H20F2N6O/c1-13-10-20(30-2)26-29(13)18-12-24-28-9-7-19(25-21(18)28)27-8-3-4-17(27)15-11-14(22)5-6-16(15)23/h5-7,9-12,17H,3-4,8H2,1-2H3/t17-/m1/s1
InChIKeyDOAYPAWWMMRURC-QGZVFWFLSA-N
MW410.43 g/mol
LogP3.85
Rot. Bonds4

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 150064789) has the molecular formula C21H20F2N6O and a molecular weight of 410.43 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID150064789
Molecular FormulaC21H20F2N6O
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(C)n(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)n1
InChIInChI=1S/C21H20F2N6O/c1-13-10-20(30-2)26-29(13)18-12-24-28-9-7-19(25-21(18)28)27-8-3-4-17(27)15-11-14(22)5-6-16(15)23/h5-7,9-12,17H,3-4,8H2,1-2H3/t17-/m1/s1
InChIKeyDOAYPAWWMMRURC-QGZVFWFLSA-N
XLogP3.85
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-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

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine (CID 150064789) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine is COc1cc(C)n(-c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)n1.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is DOAYPAWWMMRURC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20F2N6O/c1-13-10-20(30-2)26-29(13)18-12-24-28-9-7-19(25-21(18)28)27-8-3-4-17(27)15-11-14(22)5-6-16(15)23/h5-7,9-12,17H,3-4,8H2,1-2H3/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-3-(3-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 410.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 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-methoxy-5-methylpyrazol-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 150064789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).