N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

C19H18N6O4S — CID 55914416

IUPACN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCc1cc(C)n(-c2ccc(CNS(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)cn2)n1
InChIInChI=1S/C19H18N6O4S/c1-11-7-12(2)25(24-11)17-6-3-13(9-20-17)10-21-30(28,29)14-4-5-16-15(8-14)18(26)23-19(27)22-16/h3-9,21H,10H2,1-2H3,(H2,22,23,26,27)
InChIKeyRLDZOAXXJHMQSF-UHFFFAOYSA-N
MW426.46 g/mol
LogP0.89
Rot. Bonds5

About N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 55914416) has the molecular formula C19H18N6O4S and a molecular weight of 426.46 g/mol. Its IUPAC name is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID55914416
Molecular FormulaC19H18N6O4S
Molecular Weight426.46 g/mol
Exact Mass426.11
IUPAC NameN-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCc1cc(C)n(-c2ccc(CNS(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)cn2)n1
InChIInChI=1S/C19H18N6O4S/c1-11-7-12(2)25(24-11)17-6-3-13(9-20-17)10-21-30(28,29)14-4-5-16-15(8-14)18(26)23-19(27)22-16/h3-9,21H,10H2,1-2H3,(H2,22,23,26,27)
InChIKeyRLDZOAXXJHMQSF-UHFFFAOYSA-N
XLogP0.89
TPSA142.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide with MolForge

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Related Compounds

N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-3,5-difluorobenzenesulfonamide
CID 47065133
(2R)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]butane-2-sulfonamide
CID 95974510
4-chloro-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-nitrobenzenesulfonamide
CID 55913910
N-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110779641
N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120825205
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-(4-methylphenyl)methanamine
CID 47052510
(E)-2-(4-chlorophenyl)-N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]ethenesulfonamide
CID 55914931
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110716726
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55598485
N-[(1,2-dimethylindol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427929
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110427842
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-6-methylpyridin-2-amine
CID 133482153

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 55914416) is N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is Cc1cc(C)n(-c2ccc(CNS(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)cn2)n1.
What is the InChIKey of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is RLDZOAXXJHMQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O4S/c1-11-7-12(2)25(24-11)17-6-3-13(9-20-17)10-21-30(28,29)14-4-5-16-15(8-14)18(26)23-19(27)22-16/h3-9,21H,10H2,1-2H3,(H2,22,23,26,27).
What are the key properties of N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 426.46 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 55914416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).