N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide

C27H25N5O3S — CID 163872773

IUPACN-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide
SMILESCc1cnn2c(NCCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3O)nc12
InChIInChI=1S/C27H25N5O3S/c1-19-18-29-32-26(17-24(31-27(19)32)23-9-5-6-10-25(23)33)28-15-16-30-36(34,35)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-14,17-18,28,30,33H,15-16H2,1H3
InChIKeyPMHAIVSIGWUEBP-UHFFFAOYSA-N
MW499.60 g/mol
LogP4.47
Rot. Bonds8

About N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide

N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide (PubChem CID 163872773) has the molecular formula C27H25N5O3S and a molecular weight of 499.60 g/mol. Its IUPAC name is N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide
PubChem CID163872773
Molecular FormulaC27H25N5O3S
Molecular Weight499.60 g/mol
Exact Mass499.17
IUPAC NameN-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide
SMILESCc1cnn2c(NCCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3O)nc12
InChIInChI=1S/C27H25N5O3S/c1-19-18-29-32-26(17-24(31-27(19)32)23-9-5-6-10-25(23)33)28-15-16-30-36(34,35)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-14,17-18,28,30,33H,15-16H2,1H3
InChIKeyPMHAIVSIGWUEBP-UHFFFAOYSA-N
XLogP4.47
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 21067490
3,4-dichloro-N-[3-[[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]benzenesulfonamide
CID 70877184
N-[2-[[3-bromo-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 142870850
5-fluoro-N-[2-[[3-[fluoro(methyl)phosphanyl]-5-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 143090770
CID 89365760
CID 89365760
CID 89055853
CID 89055853
N-[2-[[3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-2-methylbenzenesulfonamide
CID 21067437
CID 89055860
CID 89055860
N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-1-benzofuran-2-carboxamide
CID 143441920
N'-[5-(2-chlorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 70806611
N-(1,3-dihydroxypropan-2-yl)-4-[(3-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]benzenesulfonamide
CID 71192990
4-[[5-(2-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]but-1-en-2-ol
CID 89234647

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide (CID 163872773) is N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide is Cc1cnn2c(NCCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc(-c3ccccc3O)nc12.
What is the InChIKey of N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide?
The InChIKey is PMHAIVSIGWUEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3S/c1-19-18-29-32-26(17-24(31-27(19)32)23-9-5-6-10-25(23)33)28-15-16-30-36(34,35)22-13-11-21(12-14-22)20-7-3-2-4-8-20/h2-14,17-18,28,30,33H,15-16H2,1H3.
What are the key properties of N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide?
N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide has a molecular weight of 499.60 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(2-hydroxyphenyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 163872773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).