3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide

C19H16ClN5O3S — CID 23122763

IUPAC3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc2nccn2c1OCc1cccnc1
InChIInChI=1S/C19H16ClN5O3S/c1-13-15(20)5-2-6-16(13)29(26,27)24-18-19(25-9-8-22-17(25)11-23-18)28-12-14-4-3-7-21-10-14/h2-11,24H,12H2,1H3
InChIKeyZVCIUYCWHOVCSX-UHFFFAOYSA-N
MW429.89 g/mol
LogP3.47
Rot. Bonds6

About 3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide

3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide (PubChem CID 23122763) has the molecular formula C19H16ClN5O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide
PubChem CID23122763
Molecular FormulaC19H16ClN5O3S
Molecular Weight429.89 g/mol
Exact Mass429.07
IUPAC Name3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc2nccn2c1OCc1cccnc1
InChIInChI=1S/C19H16ClN5O3S/c1-13-15(20)5-2-6-16(13)29(26,27)24-18-19(25-9-8-22-17(25)11-23-18)28-12-14-4-3-7-21-10-14/h2-11,24H,12H2,1H3
InChIKeyZVCIUYCWHOVCSX-UHFFFAOYSA-N
XLogP3.47
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide
CID 57493717
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-2-pyridinyl]benzenesulfonamide
CID 57493723
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)pyrido[3,4-b]pyrazin-2-yl]benzenesulfonamide
CID 23122881
3-chloro-2-methyl-N-[3-(pyridin-3-ylmethoxy)-6,7-dihydro-5H-cyclopenta[b]pyrazin-2-yl]benzenesulfonamide
CID 23122769
3-chloro-2-methyl-N-[2-(pyridin-3-ylmethoxy)thieno[2,3-b]pyrazin-3-yl]benzenesulfonamide
CID 23122658
3-chloro-2-methyl-N-[6-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)methoxy]imidazo[1,2-a]pyrazin-5-yl]benzenesulfonamide
CID 23122443
N-[5-bromo-3-(pyridin-3-ylmethoxy)pyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 10239030
3-chloro-N-(6-chloro-3-methoxypyrazin-2-yl)-2-methylbenzenesulfonamide
CID 10150058
3-chloro-N-(2-methoxypyrimidin-5-yl)-2-methylbenzenesulfonamide
CID 122301667
3-chloro-N-[5-(cyclopropylmethoxymethyl)-2-pyridinyl]-2-methylbenzenesulfonamide
CID 11603070
3-chloro-2-methyl-N-[5-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]pyrimidin-4-yl]benzenesulfonamide
CID 23122857
N-[[3-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 115954724

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide (CID 23122763) is 3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc2nccn2c1OCc1cccnc1.
What is the InChIKey of 3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide?
The InChIKey is ZVCIUYCWHOVCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3S/c1-13-15(20)5-2-6-16(13)29(26,27)24-18-19(25-9-8-22-17(25)11-23-18)28-12-14-4-3-7-21-10-14/h2-11,24H,12H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide?
3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide has a molecular weight of 429.89 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[5-(pyridin-3-ylmethoxy)imidazo[1,2-a]pyrazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 23122763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).