2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C20H26N6O5S2 — CID 121257907

IUPAC2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3S(=O)(=O)N3CCOCC3)nc(S(C)(=O)=O)nc12
InChIInChI=1S/C20H26N6O5S2/c1-14(2)16-13-22-26-18(16)23-20(32(3,27)28)24-19(26)21-12-15-6-4-5-7-17(15)33(29,30)25-8-10-31-11-9-25/h4-7,13-14H,8-12H2,1-3H3,(H,21,23,24)
InChIKeyBKRRKFPBQMYLLD-UHFFFAOYSA-N
MW494.60 g/mol
LogP1.28
Rot. Bonds7

About 2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 121257907) has the molecular formula C20H26N6O5S2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

Compound Name2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
PubChem CID121257907
Molecular FormulaC20H26N6O5S2
Molecular Weight494.60 g/mol
Exact Mass494.14
IUPAC Name2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
SMILESCC(C)c1cnn2c(NCc3ccccc3S(=O)(=O)N3CCOCC3)nc(S(C)(=O)=O)nc12
InChIInChI=1S/C20H26N6O5S2/c1-14(2)16-13-22-26-18(16)23-20(32(3,27)28)24-19(26)21-12-15-6-4-5-7-17(15)33(29,30)25-8-10-31-11-9-25/h4-7,13-14H,8-12H2,1-3H3,(H,21,23,24)
InChIKeyBKRRKFPBQMYLLD-UHFFFAOYSA-N
XLogP1.28
TPSA135.86 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propan-2-amine
CID 60721221
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-6-pyrazol-1-ylpyrazin-2-amine
CID 47053484
N-(cyclohexylmethyl)-2-methylsulfanyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine;N-(cyclohexylmethyl)-2-methylsulfonyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 160946745
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 42954505
4-[2-[(3-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 170669040
2-methyl-N-[[2-(1,3-oxazol-2-yl)phenyl]methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123303053
N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31515582
6-methyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 18149126
2-methyl-8-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123541841
2-[methyl-[2-[(2-morpholin-4-ylsulfonylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119913244
bis(4-(2-benzylphenyl)sulfonylmorpholine);sulfane
CID 68565404
4-N-[(5-amino-2-ethylphenyl)methyl]-2-N-(oxan-4-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;4-N-[(2-ethyl-5-methylphenyl)methyl]-2-N-(oxan-4-yl)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 159386772

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The IUPAC name of 2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 121257907) is 2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.
What is the SMILES notation for 2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The canonical SMILES for 2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is CC(C)c1cnn2c(NCc3ccccc3S(=O)(=O)N3CCOCC3)nc(S(C)(=O)=O)nc12.
What is the InChIKey of 2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
The InChIKey is BKRRKFPBQMYLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O5S2/c1-14(2)16-13-22-26-18(16)23-20(32(3,27)28)24-19(26)21-12-15-6-4-5-7-17(15)33(29,30)25-8-10-31-11-9-25/h4-7,13-14H,8-12H2,1-3H3,(H,21,23,24).
What are the key properties of 2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?
2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 494.60 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 121257907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).