(5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

C19H19ClN4O4S — CID 100754007

IUPAC(5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(Cl)ccn4n3)CC2)cc1
InChIInChI=1S/C19H19ClN4O4S/c1-28-16-2-4-17(5-3-16)29(26,27)23-10-8-22(9-11-23)19(25)18-13-15-12-14(20)6-7-24(15)21-18/h2-7,12-13H,8-11H2,1H3
InChIKeySWYRGJCRZUOENO-UHFFFAOYSA-N
MW434.91 g/mol
LogP2.14
Rot. Bonds4

About (5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone

(5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 100754007) has the molecular formula C19H19ClN4O4S and a molecular weight of 434.91 g/mol. Its IUPAC name is (5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID100754007
Molecular FormulaC19H19ClN4O4S
Molecular Weight434.91 g/mol
Exact Mass434.08
IUPAC Name(5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(Cl)ccn4n3)CC2)cc1
InChIInChI=1S/C19H19ClN4O4S/c1-28-16-2-4-17(5-3-16)29(26,27)23-10-8-22(9-11-23)19(25)18-13-15-12-14(20)6-7-24(15)21-18/h2-7,12-13H,8-11H2,1H3
InChIKeySWYRGJCRZUOENO-UHFFFAOYSA-N
XLogP2.14
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone;oxalic acid
CID 126477379
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646184
3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
CID 2031185
5-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 162633164
(2-bromo-5-methoxyphenyl)-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 2710655
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-phenoxyphenyl)methanone
CID 26868880
(4-chloro-3-nitrophenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 26203926
(2,5-dimethylphenyl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 7809128
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 1072057
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 1148025
(E)-3-(3-chlorophenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 8924571
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-pyrrol-1-yl-1,3-thiazol-5-yl)methanone
CID 42571680

Frequently Asked Questions

What is the IUPAC name of (5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone (CID 100754007) is (5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4cc(Cl)ccn4n3)CC2)cc1.
What is the InChIKey of (5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is SWYRGJCRZUOENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S/c1-28-16-2-4-17(5-3-16)29(26,27)23-10-8-22(9-11-23)19(25)18-13-15-12-14(20)6-7-24(15)21-18/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone?
(5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 434.91 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloropyrazolo[1,5-a]pyridin-2-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 100754007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).