4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine

C19H16ClN5O3S — CID 68775501

IUPAC4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(S(C)(=O)=O)cc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1
InChIInChI=1S/C19H16ClN5O3S/c1-28-15-7-6-12(29(2,26)27)11-14(15)23-19-21-9-8-13(22-19)17-18(20)24-16-5-3-4-10-25(16)17/h3-11H,1-2H3,(H,21,22,23)
InChIKeyVQELCEWDOSFYKU-UHFFFAOYSA-N
MW429.89 g/mol
LogP3.60
Rot. Bonds5

About 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine

4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine (PubChem CID 68775501) has the molecular formula C19H16ClN5O3S and a molecular weight of 429.89 g/mol. Its IUPAC name is 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine
PubChem CID68775501
Molecular FormulaC19H16ClN5O3S
Molecular Weight429.89 g/mol
Exact Mass429.07
IUPAC Name4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine
SMILESCOc1ccc(S(C)(=O)=O)cc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1
InChIInChI=1S/C19H16ClN5O3S/c1-28-15-7-6-12(29(2,26)27)11-14(15)23-19-21-9-8-13(22-19)17-18(20)24-16-5-3-4-10-25(16)17/h3-11H,1-2H3,(H,21,22,23)
InChIKeyVQELCEWDOSFYKU-UHFFFAOYSA-N
XLogP3.60
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.89
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine (CID 68775501) is 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine is COc1ccc(S(C)(=O)=O)cc1Nc1nccc(-c2c(Cl)nc3ccccn23)n1.
What is the InChIKey of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine?
The InChIKey is VQELCEWDOSFYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3S/c1-28-15-7-6-12(29(2,26)27)11-14(15)23-19-21-9-8-13(22-19)17-18(20)24-16-5-3-4-10-25(16)17/h3-11H,1-2H3,(H,21,22,23).
What are the key properties of 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine?
4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine has a molecular weight of 429.89 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-(2-methoxy-5-methylsulfonylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 68775501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).