N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide

C19H23N5O4S — CID 139341508

IUPACN-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCCCC2)n2cn[nH]c(=O)c12
InChIInChI=1S/C19H23N5O4S/c1-12-8-16(24-11-21-22-18(25)17(12)24)15-9-13(23-29(2,26)27)10-20-19(15)28-14-6-4-3-5-7-14/h8-11,14,23H,3-7H2,1-2H3,(H,22,25)
InChIKeyILPDACYOIJCYRI-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.48
Rot. Bonds5

About N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide

N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide (PubChem CID 139341508) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide
PubChem CID139341508
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC NameN-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCCCC2)n2cn[nH]c(=O)c12
InChIInChI=1S/C19H23N5O4S/c1-12-8-16(24-11-21-22-18(25)17(12)24)15-9-13(23-29(2,26)27)10-20-19(15)28-14-6-4-3-5-7-14/h8-11,14,23H,3-7H2,1-2H3,(H,22,25)
InChIKeyILPDACYOIJCYRI-UHFFFAOYSA-N
XLogP2.48
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide with MolForge

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Related Compounds

N-[6-(cyclopropylmethoxy)-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
CID 139341571
6-[2-(2-cyclopropylethyl)-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[4-(cyclopropylmethoxy)-3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)phenyl]methanesulfonamide;8-methyl-6-[5-(methylsulfonylmethyl)-2-[2-(oxan-4-yl)ethyl]phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-(oxan-4-yloxy)phenyl]methanesulfonamide;N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-4-pyridin-3-yloxyphenyl]methanesulfonamide
CID 159625580
N-[6-benzyl-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-3-pyridinyl]methanesulfonamide
CID 161400958
6-[2-cyclohexyloxy-5-(methylsulfonylmethyl)phenyl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 139341723
N-[3-(8-methyl-1-oxo-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-(pyridin-3-ylamino)phenyl]methanesulfonamide
CID 165437019
N-(3-bromo-4-cyclohexyloxyphenyl)methanesulfonamide
CID 139341514
N-[5-chloro-6-(1-phenylpiperidin-4-yl)oxy-3-pyridinyl]-2-methylbenzenesulfonamide
CID 73352278
2-cyclohexyloxy-5-methylpyridin-3-ol
CID 125116242
1-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 51114936
N-(6-chloro-5-methyl-3-pyridinyl)cyclohexanesulfonamide
CID 103744873
4-cycloheptyloxy-N-ethyl-5-methylpyrimidin-2-amine
CID 80871066
N-[4-cyclohexyloxy-3-(methanesulfonamido)phenyl]-2-(cyclopropylamino)acetamide
CID 22406117

Frequently Asked Questions

What is the IUPAC name of N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide (CID 139341508) is N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)cnc2OC2CCCCC2)n2cn[nH]c(=O)c12.
What is the InChIKey of N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide?
The InChIKey is ILPDACYOIJCYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-12-8-16(24-11-21-22-18(25)17(12)24)15-9-13(23-29(2,26)27)10-20-19(15)28-14-6-4-3-5-7-14/h8-11,14,23H,3-7H2,1-2H3,(H,22,25).
What are the key properties of N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide?
N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide has a molecular weight of 417.49 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyclohexyloxy-5-(8-methyl-1-oxo-2H-pyrrolo[1,2-d][1,2,4]triazin-6-yl)-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 139341508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).