N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide

C19H18N6O3S2 — CID 135486099

IUPACN-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide
SMILESCc1cc(-c2ccc(O)c3nc(Sc4ccc(NS(C)(=O)=O)cc4)nc(N)c23)n[nH]1
InChIInChI=1S/C19H18N6O3S2/c1-10-9-14(24-23-10)13-7-8-15(26)17-16(13)18(20)22-19(21-17)29-12-5-3-11(4-6-12)25-30(2,27)28/h3-9,25-26H,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyZDDZZQGVZGRNHB-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.14
Rot. Bonds5

About N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide

N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide (PubChem CID 135486099) has the molecular formula C19H18N6O3S2 and a molecular weight of 442.53 g/mol. Its IUPAC name is N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide
PubChem CID135486099
Molecular FormulaC19H18N6O3S2
Molecular Weight442.53 g/mol
Exact Mass442.09
IUPAC NameN-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide
SMILESCc1cc(-c2ccc(O)c3nc(Sc4ccc(NS(C)(=O)=O)cc4)nc(N)c23)n[nH]1
InChIInChI=1S/C19H18N6O3S2/c1-10-9-14(24-23-10)13-7-8-15(26)17-16(13)18(20)22-19(21-17)29-12-5-3-11(4-6-12)25-30(2,27)28/h3-9,25-26H,1-2H3,(H,23,24)(H2,20,21,22)
InChIKeyZDDZZQGVZGRNHB-UHFFFAOYSA-N
XLogP3.14
TPSA146.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide with MolForge

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Related Compounds

2-(4-aminophenyl)sulfanyl-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 10236949
3-(dimethylamino)propyl N-[4-[4-amino-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]carbamate
CID 10310961
N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]ethanesulfonamide
CID 110732607
5-fluoro-2-(5-methyl-1H-pyrazol-3-yl)phenol
CID 174707193
N-[4-[4-(4-hydroxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide
CID 135752524
N-[4-[6-amino-5-(6-methyl-3-pyridinyl)-3-pyridinyl]phenyl]methanesulfonamide
CID 71038038
2-N-(3-fluoro-4-methylsulfonylphenyl)-5-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 167516675
N-[4-[4-amino-5-(1H-pyrazol-5-yl)quinazolin-2-yl]sulfanylphenyl]acetamide
CID 10309313
N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide
CID 79212173
2-amino-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methylsulfonylbutanamide
CID 119956272
5-amino-2-[4-(cyclopropanecarbonylamino)phenyl]sulfanyl-N-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidine-4-carboxamide
CID 11690693
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylphenyl]acetamide
CID 10200408

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide (CID 135486099) is N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide is Cc1cc(-c2ccc(O)c3nc(Sc4ccc(NS(C)(=O)=O)cc4)nc(N)c23)n[nH]1.
What is the InChIKey of N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide?
The InChIKey is ZDDZZQGVZGRNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3S2/c1-10-9-14(24-23-10)13-7-8-15(26)17-16(13)18(20)22-19(21-17)29-12-5-3-11(4-6-12)25-30(2,27)28/h3-9,25-26H,1-2H3,(H,23,24)(H2,20,21,22).
What are the key properties of N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide?
N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide has a molecular weight of 442.53 g/mol, XLogP of 3.14, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-8-hydroxy-5-(5-methyl-1H-pyrazol-3-yl)quinazolin-2-yl]sulfanylphenyl]methanesulfonamide is sourced from PubChem (CID 135486099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).