4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide

C17H18ClN5OS — CID 142946934

IUPAC4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide
SMILESCN(C)S(=O)c1ccc(Nc2cc(Cl)nc3c(C4CC4)cnn23)cc1
InChIInChI=1S/C17H18ClN5OS/c1-22(2)25(24)13-7-5-12(6-8-13)20-16-9-15(18)21-17-14(11-3-4-11)10-19-23(16)17/h5-11,20H,3-4H2,1-2H3
InChIKeyLINBKLOLBUGXEJ-UHFFFAOYSA-N
MW375.89 g/mol
LogP3.59
Rot. Bonds5

About 4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide

4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide (PubChem CID 142946934) has the molecular formula C17H18ClN5OS and a molecular weight of 375.89 g/mol. Its IUPAC name is 4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide.

Molecular Properties

Compound Name4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide
PubChem CID142946934
Molecular FormulaC17H18ClN5OS
Molecular Weight375.89 g/mol
Exact Mass375.09
IUPAC Name4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide
SMILESCN(C)S(=O)c1ccc(Nc2cc(Cl)nc3c(C4CC4)cnn23)cc1
InChIInChI=1S/C17H18ClN5OS/c1-22(2)25(24)13-7-5-12(6-8-13)20-16-9-15(18)21-17-14(11-3-4-11)10-19-23(16)17/h5-11,20H,3-4H2,1-2H3
InChIKeyLINBKLOLBUGXEJ-UHFFFAOYSA-N
XLogP3.59
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.89
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide with MolForge

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Related Compounds

3-cyclopropyl-7-N-[4-(dimethylaminosulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 142946996
ethane;4-[[3-ethyl-5-[3-(hydroxymethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide
CID 142946941
4-[[5-[3-(dimethylamino)propyl-methylamino]-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfinamide;ethane
CID 142946928
3-[(5-chloro-3-cyclobutylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5-fluorobenzonitrile
CID 155104328
3-bromo-5-chloro-N-(4-methylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10046634
5-chloro-N-(4-methylsulfonylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 23645575
5-chloro-N-(4-methylphenyl)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 142946922
5,7-dichloro-3-cyclobutylpyrazolo[1,5-a]pyrimidine
CID 155104261
CID 142947005
CID 142947005
3-cyclobutyl-7-N-(3-fluorophenyl)-5-N-methylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155693877
5-chloro-3-cyclopropyl-N-[(3-fluoro-4-pyridin-2-ylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 166529641
3,5-dichloro-N-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 122457230

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide?
The IUPAC name of 4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide (CID 142946934) is 4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide.
What is the SMILES notation for 4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide?
The canonical SMILES for 4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide is CN(C)S(=O)c1ccc(Nc2cc(Cl)nc3c(C4CC4)cnn23)cc1.
What is the InChIKey of 4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide?
The InChIKey is LINBKLOLBUGXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5OS/c1-22(2)25(24)13-7-5-12(6-8-13)20-16-9-15(18)21-17-14(11-3-4-11)10-19-23(16)17/h5-11,20H,3-4H2,1-2H3.
What are the key properties of 4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide?
4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide has a molecular weight of 375.89 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfinamide is sourced from PubChem (CID 142946934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).