1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine

C19H22Cl2N4O3S — CID 69193206

IUPAC1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
SMILESCOCCc1nc2c(N)ncc(C)c2n1CCCS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N4O3S/c1-12-11-23-19(22)17-18(12)25(16(24-17)6-8-28-2)7-3-9-29(26,27)15-5-4-13(20)10-14(15)21/h4-5,10-11H,3,6-9H2,1-2H3,(H2,22,23)
InChIKeyJVVXIQNHPCULTB-UHFFFAOYSA-N
MW457.38 g/mol
LogP3.68
Rot. Bonds8

About 1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine

1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine (PubChem CID 69193206) has the molecular formula C19H22Cl2N4O3S and a molecular weight of 457.38 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
PubChem CID69193206
Molecular FormulaC19H22Cl2N4O3S
Molecular Weight457.38 g/mol
Exact Mass456.08
IUPAC Name1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
SMILESCOCCc1nc2c(N)ncc(C)c2n1CCCS(=O)(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N4O3S/c1-12-11-23-19(22)17-18(12)25(16(24-17)6-8-28-2)7-3-9-29(26,27)15-5-4-13(20)10-14(15)21/h4-5,10-11H,3,6-9H2,1-2H3,(H2,22,23)
InChIKeyJVVXIQNHPCULTB-UHFFFAOYSA-N
XLogP3.68
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine (CID 69193206) is 1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine is COCCc1nc2c(N)ncc(C)c2n1CCCS(=O)(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is JVVXIQNHPCULTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O3S/c1-12-11-23-19(22)17-18(12)25(16(24-17)6-8-28-2)7-3-9-29(26,27)15-5-4-13(20)10-14(15)21/h4-5,10-11H,3,6-9H2,1-2H3,(H2,22,23).
What are the key properties of 1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine?
1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 457.38 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenyl)sulfonylpropyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 69193206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).