7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H28N4O4S — CID 15958108

IUPAC7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H28N4O4S/c1-36(33,34)30-27(32)24-17-29-31-25(21-10-6-3-7-11-21)23(16-28-26(24)31)20-12-14-22(15-13-20)35-18-19-8-4-2-5-9-19/h2,4-5,8-9,12-17,21H,3,6-7,10-11,18H2,1H3,(H,30,32)
InChIKeyMDXBPXKKWNKYEA-UHFFFAOYSA-N
MW504.61 g/mol
LogP4.71
Rot. Bonds7

About 7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15958108) has the molecular formula C27H28N4O4S and a molecular weight of 504.61 g/mol. Its IUPAC name is 7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15958108
Molecular FormulaC27H28N4O4S
Molecular Weight504.61 g/mol
Exact Mass504.18
IUPAC Name7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C27H28N4O4S/c1-36(33,34)30-27(32)24-17-29-31-25(21-10-6-3-7-11-21)23(16-28-26(24)31)20-12-14-22(15-13-20)35-18-19-8-4-2-5-9-19/h2,4-5,8-9,12-17,21H,3,6-7,10-11,18H2,1H3,(H,30,32)
InChIKeyMDXBPXKKWNKYEA-UHFFFAOYSA-N
XLogP4.71
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.61
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 2964194
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CID 44579762
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CID 10257364
CID 10257364
CID 15957962
CID 15957962
CID 15957966
CID 15957966
CID 15958009
CID 15958009
CID 15958010
CID 15958010
CID 15958018
CID 15958018
CID 15958026
CID 15958026
CID 15958027
CID 15958027
CID 15958072
CID 15958072

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15958108) is 7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)NC(=O)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12.
What is the InChIKey of 7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MDXBPXKKWNKYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O4S/c1-36(33,34)30-27(32)24-17-29-31-25(21-10-6-3-7-11-21)23(16-28-26(24)31)20-12-14-22(15-13-20)35-18-19-8-4-2-5-9-19/h2,4-5,8-9,12-17,21H,3,6-7,10-11,18H2,1H3,(H,30,32).
What are the key properties of 7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 504.61 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N-methylsulfonyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15958108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).