2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H20F2N6O — CID 139449662

IUPAC2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1c(N)nn2ccc(N3CCCC3c3cc(F)ccc3F)nc12
InChIInChI=1S/C19H20F2N6O/c1-25(2)19(28)16-17(22)24-27-9-7-15(23-18(16)27)26-8-3-4-14(26)12-10-11(20)5-6-13(12)21/h5-7,9-10,14H,3-4,8H2,1-2H3,(H2,22,24)
InChIKeySYXIMMSWOZMGHL-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.63
Rot. Bonds3

About 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 139449662) has the molecular formula C19H20F2N6O and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID139449662
Molecular FormulaC19H20F2N6O
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)C(=O)c1c(N)nn2ccc(N3CCCC3c3cc(F)ccc3F)nc12
InChIInChI=1S/C19H20F2N6O/c1-25(2)19(28)16-17(22)24-27-9-7-15(23-18(16)27)26-8-3-4-14(26)12-10-11(20)5-6-13(12)21/h5-7,9-10,14H,3-4,8H2,1-2H3,(H2,22,24)
InChIKeySYXIMMSWOZMGHL-UHFFFAOYSA-N
XLogP2.63
TPSA79.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide 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 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 139449662) is 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)C(=O)c1c(N)nn2ccc(N3CCCC3c3cc(F)ccc3F)nc12.
What is the InChIKey of 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is SYXIMMSWOZMGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O/c1-25(2)19(28)16-17(22)24-27-9-7-15(23-18(16)27)26-8-3-4-14(26)12-10-11(20)5-6-13(12)21/h5-7,9-10,14H,3-4,8H2,1-2H3,(H2,22,24).
What are the key properties of 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 139449662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).