N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide

C25H24Cl2FN7O3S — CID 24753162

IUPACN-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide
SMILESCN(C)C1CCN(C(=O)c2cnn3c(N)c(-c4ccc(NS(=O)(=O)c5c(Cl)cccc5Cl)cc4F)cnc23)C1
InChIInChI=1S/C25H24Cl2FN7O3S/c1-33(2)15-8-9-34(13-15)25(36)18-12-31-35-23(29)17(11-30-24(18)35)16-7-6-14(10-21(16)28)32-39(37,38)22-19(26)4-3-5-20(22)27/h3-7,10-12,15,32H,8-9,13,29H2,1-2H3
InChIKeyLHVHZPWRIVMINM-UHFFFAOYSA-N
MW592.48 g/mol
LogP4.00
Rot. Bonds6

About N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide

N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide (PubChem CID 24753162) has the molecular formula C25H24Cl2FN7O3S and a molecular weight of 592.48 g/mol. Its IUPAC name is N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide
PubChem CID24753162
Molecular FormulaC25H24Cl2FN7O3S
Molecular Weight592.48 g/mol
Exact Mass591.10
IUPAC NameN-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide
SMILESCN(C)C1CCN(C(=O)c2cnn3c(N)c(-c4ccc(NS(=O)(=O)c5c(Cl)cccc5Cl)cc4F)cnc23)C1
InChIInChI=1S/C25H24Cl2FN7O3S/c1-33(2)15-8-9-34(13-15)25(36)18-12-31-35-23(29)17(11-30-24(18)35)16-7-6-14(10-21(16)28)32-39(37,38)22-19(26)4-3-5-20(22)27/h3-7,10-12,15,32H,8-9,13,29H2,1-2H3
InChIKeyLHVHZPWRIVMINM-UHFFFAOYSA-N
XLogP4.00
TPSA125.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.48
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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N-[3-[4-(diethylsulfamoyl)phenyl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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CID 90272324
N-[1-(4-chloro-2-fluorophenyl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90272348
N-[3-[1-[(6-chloro-3-pyridinyl)sulfinyl]piperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-[2-(2,4-dichlorophenyl)-3-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
CID 121309908
Pyrazolo[1,5-a]pyrimidine derivative 7
CID 67272029
N-[3-[1-(2,6-dichlorophenyl)sulfinylpiperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90275624
N-[3-[1-(2,4-dichlorophenyl)sulfinylpiperidin-4-yl]-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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US10065963, Example 135
CID 129097465
N-{7-(2-chloro-4-methylphenylamino)-6-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-3-ylsulfonyl}propionamide
CID 53377696

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide (CID 24753162) is N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide is CN(C)C1CCN(C(=O)c2cnn3c(N)c(-c4ccc(NS(=O)(=O)c5c(Cl)cccc5Cl)cc4F)cnc23)C1.
What is the InChIKey of N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide?
The InChIKey is LHVHZPWRIVMINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FN7O3S/c1-33(2)15-8-9-34(13-15)25(36)18-12-31-35-23(29)17(11-30-24(18)35)16-7-6-14(10-21(16)28)32-39(37,38)22-19(26)4-3-5-20(22)27/h3-7,10-12,15,32H,8-9,13,29H2,1-2H3.
What are the key properties of N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide?
N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide has a molecular weight of 592.48 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-amino-3-[3-(dimethylamino)pyrrolidine-1-carbonyl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-fluorophenyl]-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 24753162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).