N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C28H31N5O4S — CID 46395939

IUPACN-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1cccc(NC(=O)c2nn3c(C)cc(C)nc3c2-c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C28H31N5O4S/c1-5-20-9-8-10-22(16-20)30-28(34)26-25(27-29-18(2)15-19(3)33(27)31-26)21-11-12-23(37-4)24(17-21)38(35,36)32-13-6-7-14-32/h8-12,15-17H,5-7,13-14H2,1-4H3,(H,30,34)
InChIKeyAGWYWEBRPCCREL-UHFFFAOYSA-N
MW533.65 g/mol
LogP4.62
Rot. Bonds7

About N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 46395939) has the molecular formula C28H31N5O4S and a molecular weight of 533.65 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID46395939
Molecular FormulaC28H31N5O4S
Molecular Weight533.65 g/mol
Exact Mass533.21
IUPAC NameN-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1cccc(NC(=O)c2nn3c(C)cc(C)nc3c2-c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c1
InChIInChI=1S/C28H31N5O4S/c1-5-20-9-8-10-22(16-20)30-28(34)26-25(27-29-18(2)15-19(3)33(27)31-26)21-11-12-23(37-4)24(17-21)38(35,36)32-13-6-7-14-32/h8-12,15-17H,5-7,13-14H2,1-4H3,(H,30,34)
InChIKeyAGWYWEBRPCCREL-UHFFFAOYSA-N
XLogP4.62
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.65
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethylphenyl)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134684
3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134650
N-(3-ethylphenyl)-5,7-dimethyl-3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134745
3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134613
N-(2-methoxyphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134649
N-(3-ethylphenyl)-5,7-dimethyl-3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134774
3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 98245781
N-(3,5-dimethoxyphenyl)-5,7-dimethyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134702
3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134680
3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134796
[3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
CID 53134620
N-(4-chlorophenyl)-5,7-dimethyl-3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134699

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 46395939) is N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1cccc(NC(=O)c2nn3c(C)cc(C)nc3c2-c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AGWYWEBRPCCREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4S/c1-5-20-9-8-10-22(16-20)30-28(34)26-25(27-29-18(2)15-19(3)33(27)31-26)21-11-12-23(37-4)24(17-21)38(35,36)32-13-6-7-14-32/h8-12,15-17H,5-7,13-14H2,1-4H3,(H,30,34).
What are the key properties of N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 533.65 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 46395939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).