N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C18H20N6O2S — CID 56867585

IUPACN,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1CCN(S(=O)(=O)c1ccc(-n3cccn3)cc1)C2
InChIInChI=1S/C18H20N6O2S/c1-22(2)18-16-8-11-23(12-17(16)19-13-20-18)27(25,26)15-6-4-14(5-7-15)24-10-3-9-21-24/h3-7,9-10,13H,8,11-12H2,1-2H3
InChIKeyYKKGWZKDLGPCPZ-UHFFFAOYSA-N
MW384.47 g/mol
LogP1.48
Rot. Bonds4

About N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56867585) has the molecular formula C18H20N6O2S and a molecular weight of 384.47 g/mol. Its IUPAC name is N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID56867585
Molecular FormulaC18H20N6O2S
Molecular Weight384.47 g/mol
Exact Mass384.14
IUPAC NameN,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCN(C)c1ncnc2c1CCN(S(=O)(=O)c1ccc(-n3cccn3)cc1)C2
InChIInChI=1S/C18H20N6O2S/c1-22(2)18-16-8-11-23(12-17(16)19-13-20-18)27(25,26)15-6-4-14(5-7-15)24-10-3-9-21-24/h3-7,9-10,13H,8,11-12H2,1-2H3
InChIKeyYKKGWZKDLGPCPZ-UHFFFAOYSA-N
XLogP1.48
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 70727919
3-pyrazol-1-yl-6-[4-(4-pyrazol-1-ylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122339169
N,N-dimethyl-4-propyl-1-(4-pyrazol-1-ylphenyl)sulfonylpyrrolidin-3-amine
CID 78085861
ethyl 4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine-1-carboxylate
CID 45491519
1-(2,5-dimethylphenyl)-4-(4-pyrazol-1-ylphenyl)sulfonylpiperazine
CID 20914787
5-methoxy-2-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 154581921
N-(1-adamantylmethyl)-7-(4-fluorophenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 59160046
N,N-dimethyl-4-[[(4-pyrazol-1-ylphenyl)sulfonylamino]methyl]piperidine-1-sulfonamide
CID 122161875
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122320617
2-fluoro-6-[1-(4-pyrazol-1-ylphenyl)sulfonylpiperidin-4-yl]oxypyridine
CID 172893544
N,N-dimethyl-6-(4-methylphenyl)sulfonyl-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 42870903
7-phenyl-4-(4-pyrazol-1-ylphenyl)sulfonyl-1,4-thiazepane 1,1-dioxide
CID 119104382

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 56867585) is N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is CN(C)c1ncnc2c1CCN(S(=O)(=O)c1ccc(-n3cccn3)cc1)C2.
What is the InChIKey of N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is YKKGWZKDLGPCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2S/c1-22(2)18-16-8-11-23(12-17(16)19-13-20-18)27(25,26)15-6-4-14(5-7-15)24-10-3-9-21-24/h3-7,9-10,13H,8,11-12H2,1-2H3.
What are the key properties of N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 384.47 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(4-pyrazol-1-ylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56867585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).