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

C32H30N4O4S — CID 10257364

IUPACN-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C32H30N4O4S/c37-32(35-41(38,39)27-14-8-3-9-15-27)29-21-34-36-30(25-12-6-2-7-13-25)28(20-33-31(29)36)24-16-18-26(19-17-24)40-22-23-10-4-1-5-11-23/h1,3-5,8-11,14-21,25H,2,6-7,12-13,22H2,(H,35,37)
InChIKeyDWCVXZOZGYFHKA-UHFFFAOYSA-N
MW566.68 g/mol
LogP6.14
Rot. Bonds8

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

N-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 10257364) has the molecular formula C32H30N4O4S and a molecular weight of 566.68 g/mol. Its IUPAC name is N-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID10257364
Molecular FormulaC32H30N4O4S
Molecular Weight566.68 g/mol
Exact Mass566.20
IUPAC NameN-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12
InChIInChI=1S/C32H30N4O4S/c37-32(35-41(38,39)27-14-8-3-9-15-27)29-21-34-36-30(25-12-6-2-7-13-25)28(20-33-31(29)36)24-16-18-26(19-17-24)40-22-23-10-4-1-5-11-23/h1,3-5,8-11,14-21,25H,2,6-7,12-13,22H2,(H,35,37)
InChIKeyDWCVXZOZGYFHKA-UHFFFAOYSA-N
XLogP6.14
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.68
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 10257364) is N-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NS(=O)(=O)c1ccccc1)c1cnn2c(C3CCCCC3)c(-c3ccc(OCc4ccccc4)cc3)cnc12.
What is the InChIKey of N-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DWCVXZOZGYFHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O4S/c37-32(35-41(38,39)27-14-8-3-9-15-27)29-21-34-36-30(25-12-6-2-7-13-25)28(20-33-31(29)36)24-16-18-26(19-17-24)40-22-23-10-4-1-5-11-23/h1,3-5,8-11,14-21,25H,2,6-7,12-13,22H2,(H,35,37).
What are the key properties of N-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 566.68 g/mol, XLogP of 6.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-7-cyclohexyl-6-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 10257364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).