3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one

C24H23ClN4O3S — CID 66852882

IUPAC3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(c2cnc3ncccn23)CC1
InChIInChI=1S/C24H23ClN4O3S/c25-20-4-2-19-15-21(5-3-18(19)14-20)33(31,32)13-8-23(30)28-11-6-17(7-12-28)22-16-27-24-26-9-1-10-29(22)24/h1-5,9-10,14-17H,6-8,11-13H2
InChIKeyBKLZKKMFQDMOSK-UHFFFAOYSA-N
MW482.99 g/mol
LogP4.11
Rot. Bonds5

About 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one

3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one (PubChem CID 66852882) has the molecular formula C24H23ClN4O3S and a molecular weight of 482.99 g/mol. Its IUPAC name is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one
PubChem CID66852882
Molecular FormulaC24H23ClN4O3S
Molecular Weight482.99 g/mol
Exact Mass482.12
IUPAC Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(c2cnc3ncccn23)CC1
InChIInChI=1S/C24H23ClN4O3S/c25-20-4-2-19-15-21(5-3-18(19)14-20)33(31,32)13-8-23(30)28-11-6-17(7-12-28)22-16-27-24-26-9-1-10-29(22)24/h1-5,9-10,14-17H,6-8,11-13H2
InChIKeyBKLZKKMFQDMOSK-UHFFFAOYSA-N
XLogP4.11
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.99
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-butylimidazol-1-yl)piperidin-1-yl]-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one
CID 66853646
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 66854005
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one
CID 66854508
7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 66852881
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one
CID 91258829
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 161276041
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66853029
prop-2-enyl (NZ)-N-[5-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-1,3-thiazol-2-ylidene]carbamate
CID 140536539
3-[(6-chloro-1H-benzimidazol-2-yl)sulfonyl]-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 66853361
5-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1-methyl-2-(methylamino)-5,6-dihydrocyclopenta[b]pyrrol-4-one
CID 91346628
6-chloro-N-[2-oxo-1-[2-oxo-2-(3-pyridin-2-ylpyrrolidin-1-yl)ethyl]piperidin-3-yl]naphthalene-2-sulfonamide
CID 20581407
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one
CID 139991550

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one (CID 66852882) is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one is O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(c2cnc3ncccn23)CC1.
What is the InChIKey of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one?
The InChIKey is BKLZKKMFQDMOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3S/c25-20-4-2-19-15-21(5-3-18(19)14-20)33(31,32)13-8-23(30)28-11-6-17(7-12-28)22-16-27-24-26-9-1-10-29(22)24/h1-5,9-10,14-17H,6-8,11-13H2.
What are the key properties of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one?
3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one has a molecular weight of 482.99 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 66852882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).