N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C26H29ClN4O4S — CID 140560089

IUPACN-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C(=O)N1CCC(NC(=O)c2cnc3n2CCCC3)CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C26H29ClN4O4S/c1-17(36(34,35)22-8-6-18-14-20(27)7-5-19(18)15-22)26(33)30-12-9-21(10-13-30)29-25(32)23-16-28-24-4-2-3-11-31(23)24/h5-8,14-17,21H,2-4,9-13H2,1H3,(H,29,32)
InChIKeyYAQZAGWAQXLVTQ-UHFFFAOYSA-N
MW529.06 g/mol
LogP3.61
Rot. Bonds5

About N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 140560089) has the molecular formula C26H29ClN4O4S and a molecular weight of 529.06 g/mol. Its IUPAC name is N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID140560089
Molecular FormulaC26H29ClN4O4S
Molecular Weight529.06 g/mol
Exact Mass528.16
IUPAC NameN-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(C(=O)N1CCC(NC(=O)c2cnc3n2CCCC3)CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C26H29ClN4O4S/c1-17(36(34,35)22-8-6-18-14-20(27)7-5-19(18)15-22)26(33)30-12-9-21(10-13-30)29-25(32)23-16-28-24-4-2-3-11-31(23)24/h5-8,14-17,21H,2-4,9-13H2,1H3,(H,29,32)
InChIKeyYAQZAGWAQXLVTQ-UHFFFAOYSA-N
XLogP3.61
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.06
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 140560089) is N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is CC(C(=O)N1CCC(NC(=O)c2cnc3n2CCCC3)CC1)S(=O)(=O)c1ccc2cc(Cl)ccc2c1.
What is the InChIKey of N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YAQZAGWAQXLVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O4S/c1-17(36(34,35)22-8-6-18-14-20(27)7-5-19(18)15-22)26(33)30-12-9-21(10-13-30)29-25(32)23-16-28-24-4-2-3-11-31(23)24/h5-8,14-17,21H,2-4,9-13H2,1H3,(H,29,32).
What are the key properties of N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 529.06 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 140560089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).