2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine

C18H21IN4O2S — CID 25073668

IUPAC2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine
SMILESCOc1ccc(I)c(Sc2nc3c(N)nccc3n2CCOC(C)C)c1
InChIInChI=1S/C18H21IN4O2S/c1-11(2)25-9-8-23-14-6-7-21-17(20)16(14)22-18(23)26-15-10-12(24-3)4-5-13(15)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21)
InChIKeyYDRPHQOKYVMISB-UHFFFAOYSA-N
MW484.36 g/mol
LogP4.20
Rot. Bonds7

About 2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine

2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 25073668) has the molecular formula C18H21IN4O2S and a molecular weight of 484.36 g/mol. Its IUPAC name is 2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine
PubChem CID25073668
Molecular FormulaC18H21IN4O2S
Molecular Weight484.36 g/mol
Exact Mass484.04
IUPAC Name2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine
SMILESCOc1ccc(I)c(Sc2nc3c(N)nccc3n2CCOC(C)C)c1
InChIInChI=1S/C18H21IN4O2S/c1-11(2)25-9-8-23-14-6-7-21-17(20)16(14)22-18(23)26-15-10-12(24-3)4-5-13(15)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21)
InChIKeyYDRPHQOKYVMISB-UHFFFAOYSA-N
XLogP4.20
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine (CID 25073668) is 2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine is COc1ccc(I)c(Sc2nc3c(N)nccc3n2CCOC(C)C)c1.
What is the InChIKey of 2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is YDRPHQOKYVMISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21IN4O2S/c1-11(2)25-9-8-23-14-6-7-21-17(20)16(14)22-18(23)26-15-10-12(24-3)4-5-13(15)19/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21).
What are the key properties of 2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine?
2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 484.36 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-5-methoxyphenyl)sulfanyl-1-(2-propan-2-yloxyethyl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 25073668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).