4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

C25H25FN6O2S — CID 141332070

IUPAC4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCCS(=O)Nc1ccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)cc1
InChIInChI=1S/C25H25FN6O2S/c1-2-35(34)30-20-10-8-17(9-11-20)25(33)28-21-16-27-32-14-12-23(29-24(21)32)31-13-4-7-22(31)18-5-3-6-19(26)15-18/h3,5-6,8-12,14-16,22,30H,2,4,7,13H2,1H3,(H,28,33)/t22-,35?/m1/s1
InChIKeySFEZDELHYDXNSM-HZSLSTAUSA-N
MW492.58 g/mol
LogP4.56
Rot. Bonds7

About 4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide

4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (PubChem CID 141332070) has the molecular formula C25H25FN6O2S and a molecular weight of 492.58 g/mol. Its IUPAC name is 4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound Name4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
PubChem CID141332070
Molecular FormulaC25H25FN6O2S
Molecular Weight492.58 g/mol
Exact Mass492.17
IUPAC Name4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCCS(=O)Nc1ccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)cc1
InChIInChI=1S/C25H25FN6O2S/c1-2-35(34)30-20-10-8-17(9-11-20)25(33)28-21-16-27-32-14-12-23(29-24(21)32)31-13-4-7-22(31)18-5-3-6-19(26)15-18/h3,5-6,8-12,14-16,22,30H,2,4,7,13H2,1H3,(H,28,33)/t22-,35?/m1/s1
InChIKeySFEZDELHYDXNSM-HZSLSTAUSA-N
XLogP4.56
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide 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

N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-3-carboxamide
CID 154027724
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methylpyridine-3-carboxamide
CID 141332067
N-[5-[2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxypyridine-2-carboxamide
CID 67330159
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-amine
CID 67329531
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]pyridine-3-carboxamide
CID 137492926
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-2-carboxamide
CID 45273880
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide;tris(N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)benzamide);N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-propylpiperazin-1-yl)benzamide
CID 158066106
1-(4-chlorophenyl)-3-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]urea
CID 67331507
2-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]amino]-2-oxoacetic acid
CID 58386308
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyridine-2-carboxamide
CID 67330537
N'-acetyl-5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 121395159
1-tert-butyl-3-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]urea
CID 46188752

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The IUPAC name of 4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (CID 141332070) is 4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for 4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for 4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is CCS(=O)Nc1ccc(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cccc(F)c4)nc23)cc1.
What is the InChIKey of 4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The InChIKey is SFEZDELHYDXNSM-HZSLSTAUSA-N. The full InChI is InChI=1S/C25H25FN6O2S/c1-2-35(34)30-20-10-8-17(9-11-20)25(33)28-21-16-27-32-14-12-23(29-24(21)32)31-13-4-7-22(31)18-5-3-6-19(26)15-18/h3,5-6,8-12,14-16,22,30H,2,4,7,13H2,1H3,(H,28,33)/t22-,35?/m1/s1.
What are the key properties of 4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide has a molecular weight of 492.58 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfinylamino)-N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 141332070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).