5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21F2N7O — CID 67501444

IUPAC5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C22H21F2N7O/c23-14-3-4-18(24)16(10-14)19-2-1-8-30(19)20-6-9-31-21(29-20)17(12-28-31)22(32)26-7-5-15-11-25-13-27-15/h3-4,6,9-13,19H,1-2,5,7-8H2,(H,25,27)(H,26,32)/t19-/m1/s1
InChIKeyOOFWNPIPNPKKSR-LJQANCHMSA-N
MW437.45 g/mol
LogP3.04
Rot. Bonds6

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

5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501444) has the molecular formula C22H21F2N7O and a molecular weight of 437.45 g/mol. Its IUPAC name is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501444
Molecular FormulaC22H21F2N7O
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC Name5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C22H21F2N7O/c23-14-3-4-18(24)16(10-14)19-2-1-8-30(19)20-6-9-31-21(29-20)17(12-28-31)22(32)26-7-5-15-11-25-13-27-15/h3-4,6,9-13,19H,1-2,5,7-8H2,(H,25,27)(H,26,32)/t19-/m1/s1
InChIKeyOOFWNPIPNPKKSR-LJQANCHMSA-N
XLogP3.04
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]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-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501444) is 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCc1cnc[nH]1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OOFWNPIPNPKKSR-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21F2N7O/c23-14-3-4-18(24)16(10-14)19-2-1-8-30(19)20-6-9-31-21(29-20)17(12-28-31)22(32)26-7-5-15-11-25-13-27-15/h3-4,6,9-13,19H,1-2,5,7-8H2,(H,25,27)(H,26,32)/t19-/m1/s1.
What are the key properties of 5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 3.04, 6 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-[2-(1H-imidazol-5-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).