5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H21F2N5O2 — CID 67500114

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H21F2N5O2/c22-13-3-4-16(23)14(10-13)17-2-1-8-27(17)18-5-9-28-19(25-18)15(11-24-28)20(30)26-21(12-29)6-7-21/h3-5,9-11,17,29H,1-2,6-8,12H2,(H,26,30)/t17-/m1/s1
InChIKeyBCFGWXGYMCPFQX-QGZVFWFLSA-N
MW413.43 g/mol
LogP2.60
Rot. Bonds5

About 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500114) has the molecular formula C21H21F2N5O2 and a molecular weight of 413.43 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500114
Molecular FormulaC21H21F2N5O2
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1(CO)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H21F2N5O2/c22-13-3-4-16(23)14(10-13)17-2-1-8-27(17)18-5-9-28-19(25-18)15(11-24-28)20(30)26-21(12-29)6-7-21/h3-5,9-11,17,29H,1-2,6-8,12H2,(H,26,30)/t17-/m1/s1
InChIKeyBCFGWXGYMCPFQX-QGZVFWFLSA-N
XLogP2.60
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[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 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500114) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1(CO)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BCFGWXGYMCPFQX-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21F2N5O2/c22-13-3-4-16(23)14(10-13)17-2-1-8-27(17)18-5-9-28-19(25-18)15(11-24-28)20(30)26-21(12-29)6-7-21/h3-5,9-11,17,29H,1-2,6-8,12H2,(H,26,30)/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 413.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[1-(hydroxymethyl)cyclopropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).