2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline

C16H18N4O2S — CID 19820955

IUPAC2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline
SMILESCOc1ccnc2nc(S(=O)Cc3ccccc3N(C)C)[nH]c12
InChIInChI=1S/C16H18N4O2S/c1-20(2)12-7-5-4-6-11(12)10-23(21)16-18-14-13(22-3)8-9-17-15(14)19-16/h4-9H,10H2,1-3H3,(H,17,18,19)
InChIKeyMLPRZKIHXLNFQR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.34
Rot. Bonds5

About 2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline

2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline (PubChem CID 19820955) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline
PubChem CID19820955
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline
SMILESCOc1ccnc2nc(S(=O)Cc3ccccc3N(C)C)[nH]c12
InChIInChI=1S/C16H18N4O2S/c1-20(2)12-7-5-4-6-11(12)10-23(21)16-18-14-13(22-3)8-9-17-15(14)19-16/h4-9H,10H2,1-3H3,(H,17,18,19)
InChIKeyMLPRZKIHXLNFQR-UHFFFAOYSA-N
XLogP2.34
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline with MolForge

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Related Compounds

2-[(5-ethylsulfinyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline
CID 14329453
2-[(5-butoxy-6-ethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylaniline
CID 14578618
2-[[1-(3-methoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
CID 10618259
2-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,4-trimethylaniline
CID 14578613
2-[[2-(1H-imidazol-2-yl)phenyl]sulfinylmethyl]-N,N-dimethylaniline
CID 56992031
2-[[1-(4-methoxy-6-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]-N,N-dimethylaniline
CID 10571203
[2-[[2-(dimethylamino)-5-methoxyphenyl]methylsulfinyl]-3H-benzimidazol-5-yl]-phenylmethanone
CID 57107128
2-[(4-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-N,N-dimethylaniline
CID 14578637
7-methoxy-2-(2-methoxy-4-methylsulfinylphenyl)-1H-imidazo[4,5-b]pyridine
CID 14762726
N,N-dimethyl-2-[[1-(3-phenylmethoxy-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
CID 10622627
N,N-dimethyl-2-[[1-(5-methyl-2-pyridinyl)imidazol-2-yl]sulfinylmethyl]aniline
CID 10759607
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N,3-trimethylaniline
CID 14578624

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline?
The IUPAC name of 2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline (CID 19820955) is 2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline.
What is the SMILES notation for 2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline?
The canonical SMILES for 2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline is COc1ccnc2nc(S(=O)Cc3ccccc3N(C)C)[nH]c12.
What is the InChIKey of 2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline?
The InChIKey is MLPRZKIHXLNFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-20(2)12-7-5-4-6-11(12)10-23(21)16-18-14-13(22-3)8-9-17-15(14)19-16/h4-9H,10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline?
2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline has a molecular weight of 330.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)sulfinylmethyl]-N,N-dimethylaniline is sourced from PubChem (CID 19820955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).