3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride

C25H29BrClN3O3S — CID 66852985

IUPAC3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCl.O=C(CCS(=O)(=O)c1ccc2cc(Br)ccc2c1)N1CCC(c2cnc3n2CCCC3)CC1
InChIInChI=1S/C25H28BrN3O3S.ClH/c26-21-6-4-20-16-22(7-5-19(20)15-21)33(31,32)14-10-25(30)28-12-8-18(9-13-28)23-17-27-24-3-1-2-11-29(23)24;/h4-7,15-18H,1-3,8-14H2;1H
InChIKeyWLPTXENNFCETQU-UHFFFAOYSA-N
MW566.95 g/mol
LogP5.13
Rot. Bonds5

About 3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride

3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 66852985) has the molecular formula C25H29BrClN3O3S and a molecular weight of 566.95 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID66852985
Molecular FormulaC25H29BrClN3O3S
Molecular Weight566.95 g/mol
Exact Mass565.08
IUPAC Name3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCl.O=C(CCS(=O)(=O)c1ccc2cc(Br)ccc2c1)N1CCC(c2cnc3n2CCCC3)CC1
InChIInChI=1S/C25H28BrN3O3S.ClH/c26-21-6-4-20-16-22(7-5-19(20)15-21)33(31,32)14-10-25(30)28-12-8-18(9-13-28)23-17-27-24-3-1-2-11-29(23)24;/h4-7,15-18H,1-3,8-14H2;1H
InChIKeyWLPTXENNFCETQU-UHFFFAOYSA-N
XLogP5.13
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.95
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride (CID 66852985) is 3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride is Cl.O=C(CCS(=O)(=O)c1ccc2cc(Br)ccc2c1)N1CCC(c2cnc3n2CCCC3)CC1.
What is the InChIKey of 3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is WLPTXENNFCETQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN3O3S.ClH/c26-21-6-4-20-16-22(7-5-19(20)15-21)33(31,32)14-10-25(30)28-12-8-18(9-13-28)23-17-27-24-3-1-2-11-29(23)24;/h4-7,15-18H,1-3,8-14H2;1H.
What are the key properties of 3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride?
3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 566.95 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 66852985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).