2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

C25H27N5O3S — CID 11374987

IUPAC2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)c(C)c3[nH]2)c1
InChIInChI=1S/C25H27N5O3S/c1-17-22(18-5-8-21(9-6-18)34(31,32)30-13-3-4-14-30)16-27-25-24(17)28-23(29-25)10-7-19-15-20(33-2)11-12-26-19/h5-6,8-9,11-12,15-16H,3-4,7,10,13-14H2,1-2H3,(H,27,28,29)
InChIKeyAAKZNRPYQMZCHN-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.91
Rot. Bonds7

About 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine

2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 11374987) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID11374987
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)c(C)c3[nH]2)c1
InChIInChI=1S/C25H27N5O3S/c1-17-22(18-5-8-21(9-6-18)34(31,32)30-13-3-4-14-30)16-27-25-24(17)28-23(29-25)10-7-19-15-20(33-2)11-12-26-19/h5-6,8-9,11-12,15-16H,3-4,7,10,13-14H2,1-2H3,(H,27,28,29)
InChIKeyAAKZNRPYQMZCHN-UHFFFAOYSA-N
XLogP3.91
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.91
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]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine (CID 11374987) is 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is COc1ccnc(CCc2nc3ncc(-c4ccc(S(=O)(=O)N5CCCC5)cc4)c(C)c3[nH]2)c1.
What is the InChIKey of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is AAKZNRPYQMZCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-17-22(18-5-8-21(9-6-18)34(31,32)30-13-3-4-14-30)16-27-25-24(17)28-23(29-25)10-7-19-15-20(33-2)11-12-26-19/h5-6,8-9,11-12,15-16H,3-4,7,10,13-14H2,1-2H3,(H,27,28,29).
What are the key properties of 2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine?
2-[2-(4-methoxy-2-pyridinyl)ethyl]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 477.59 g/mol, XLogP of 3.91, 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]-7-methyl-6-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 11374987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).