N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C15H21N5O5S — CID 167815137

IUPACN-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOCCn1ncc2c1C(NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)CCC2
InChIInChI=1S/C15H21N5O5S/c1-9-13(14(21)18-15(22)17-9)26(23,24)19-11-5-3-4-10-8-16-20(12(10)11)6-7-25-2/h8,11,19H,3-7H2,1-2H3,(H2,17,18,21,22)
InChIKeyAYPAHFUQCCCZHS-UHFFFAOYSA-N
MW383.43 g/mol
LogP-0.43
Rot. Bonds6

About N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 167815137) has the molecular formula C15H21N5O5S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID167815137
Molecular FormulaC15H21N5O5S
Molecular Weight383.43 g/mol
Exact Mass383.13
IUPAC NameN-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESCOCCn1ncc2c1C(NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)CCC2
InChIInChI=1S/C15H21N5O5S/c1-9-13(14(21)18-15(22)17-9)26(23,24)19-11-5-3-4-10-8-16-20(12(10)11)6-7-25-2/h8,11,19H,3-7H2,1-2H3,(H2,17,18,21,22)
InChIKeyAYPAHFUQCCCZHS-UHFFFAOYSA-N
XLogP-0.43
TPSA138.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 167815137) is N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is COCCn1ncc2c1C(NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)CCC2.
What is the InChIKey of N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is AYPAHFUQCCCZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O5S/c1-9-13(14(21)18-15(22)17-9)26(23,24)19-11-5-3-4-10-8-16-20(12(10)11)6-7-25-2/h8,11,19H,3-7H2,1-2H3,(H2,17,18,21,22).
What are the key properties of N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 383.43 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-4,5,6,7-tetrahydroindazol-7-yl]-6-methyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 167815137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).