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

C26H27N5O4S — CID 53134650

IUPAC3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2c(C(=O)Nc3ccccc3)nn3c(C)cc(C)nc23)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C26H27N5O4S/c1-17-15-18(2)31-25(27-17)23(24(29-31)26(32)28-20-9-5-4-6-10-20)19-11-12-21(35-3)22(16-19)36(33,34)30-13-7-8-14-30/h4-6,9-12,15-16H,7-8,13-14H2,1-3H3,(H,28,32)
InChIKeyNNFRASYHMZPMLG-UHFFFAOYSA-N
MW505.60 g/mol
LogP4.06
Rot. Bonds6

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

3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 53134650) has the molecular formula C26H27N5O4S and a molecular weight of 505.60 g/mol. Its IUPAC name is 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID53134650
Molecular FormulaC26H27N5O4S
Molecular Weight505.60 g/mol
Exact Mass505.18
IUPAC Name3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2c(C(=O)Nc3ccccc3)nn3c(C)cc(C)nc23)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C26H27N5O4S/c1-17-15-18(2)31-25(27-17)23(24(29-31)26(32)28-20-9-5-4-6-10-20)19-11-12-21(35-3)22(16-19)36(33,34)30-13-7-8-14-30/h4-6,9-12,15-16H,7-8,13-14H2,1-3H3,(H,28,32)
InChIKeyNNFRASYHMZPMLG-UHFFFAOYSA-N
XLogP4.06
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-methoxyphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134649
N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 46395939
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-piperidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 98245781
3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134613
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-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
3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134680
N-(3-ethylphenyl)-5,7-dimethyl-3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134745
3-[3-(diethylsulfamoyl)-4-methoxyphenyl]-N-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134796
N-(3-fluorophenyl)-5,7-dimethyl-3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134763

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 53134650) is 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2c(C(=O)Nc3ccccc3)nn3c(C)cc(C)nc23)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NNFRASYHMZPMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4S/c1-17-15-18(2)31-25(27-17)23(24(29-31)26(32)28-20-9-5-4-6-10-20)19-11-12-21(35-3)22(16-19)36(33,34)30-13-7-8-14-30/h4-6,9-12,15-16H,7-8,13-14H2,1-3H3,(H,28,32).
What are the key properties of 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 53134650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).