2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

C24H25N5O3S — CID 11190456

IUPAC2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cc3[nH]2)c1
InChIInChI=1S/C24H25N5O3S/c1-32-20-10-11-25-19(15-20)6-9-23-27-22-14-18(16-26-24(22)28-23)17-4-7-21(8-5-17)33(30,31)29-12-2-3-13-29/h4-5,7-8,10-11,14-16H,2-3,6,9,12-13H2,1H3,(H,26,27,28)
InChIKeyUQCGBFFEFMDNQP-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.60
Rot. Bonds7

About 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 11190456) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID11190456
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cc3[nH]2)c1
InChIInChI=1S/C24H25N5O3S/c1-32-20-10-11-25-19(15-20)6-9-23-27-22-14-18(16-26-24(22)28-23)17-4-7-21(8-5-17)33(30,31)29-12-2-3-13-29/h4-5,7-8,10-11,14-16H,2-3,6,9,12-13H2,1H3,(H,26,27,28)
InChIKeyUQCGBFFEFMDNQP-UHFFFAOYSA-N
XLogP3.60
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (CID 11190456) is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)cc3[nH]2)c1.
What is the InChIKey of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is UQCGBFFEFMDNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-32-20-10-11-25-19(15-20)6-9-23-27-22-14-18(16-26-24(22)28-23)17-4-7-21(8-5-17)33(30,31)29-12-2-3-13-29/h4-5,7-8,10-11,14-16H,2-3,6,9,12-13H2,1H3,(H,26,27,28).
What are the key properties of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 463.56 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 11190456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).