2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine

C23H28N4O3S — CID 46286841

IUPAC2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCOCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C23H28N4O3S/c1-30-16-22-25-21-7-4-12-24-23(21)27(22)19-10-13-26(14-11-19)31(28,29)20-9-8-17-5-2-3-6-18(17)15-20/h4,7-9,12,15,19H,2-3,5-6,10-11,13-14,16H2,1H3
InChIKeyCEDXGMAVIHPVAM-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.48
Rot. Bonds5

About 2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine

2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 46286841) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
PubChem CID46286841
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
SMILESCOCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C23H28N4O3S/c1-30-16-22-25-21-7-4-12-24-23(21)27(22)19-10-13-26(14-11-19)31(28,29)20-9-8-17-5-2-3-6-18(17)15-20/h4,7-9,12,15,19H,2-3,5-6,10-11,13-14,16H2,1H3
InChIKeyCEDXGMAVIHPVAM-UHFFFAOYSA-N
XLogP3.48
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine (CID 46286841) is 2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine is COCc1nc2cccnc2n1C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of 2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is CEDXGMAVIHPVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-30-16-22-25-21-7-4-12-24-23(21)27(22)19-10-13-26(14-11-19)31(28,29)20-9-8-17-5-2-3-6-18(17)15-20/h4,7-9,12,15,19H,2-3,5-6,10-11,13-14,16H2,1H3.
What are the key properties of 2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine?
2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 440.57 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 46286841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).