6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C23H27ClN6O3S — CID 67355726

IUPAC6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCN1CCN(S(=O)(=O)c2ccc(-n3[nH]c4c(c3=O)CCN(Cc3cccc(Cl)c3)C4)nc2)CC1
InChIInChI=1S/C23H27ClN6O3S/c1-27-9-11-29(12-10-27)34(32,33)19-5-6-22(25-14-19)30-23(31)20-7-8-28(16-21(20)26-30)15-17-3-2-4-18(24)13-17/h2-6,13-14,26H,7-12,15-16H2,1H3
InChIKeyMKWXNSAPMBPEAT-UHFFFAOYSA-N
MW503.03 g/mol
LogP1.71
Rot. Bonds5

About 6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67355726) has the molecular formula C23H27ClN6O3S and a molecular weight of 503.03 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67355726
Molecular FormulaC23H27ClN6O3S
Molecular Weight503.03 g/mol
Exact Mass502.16
IUPAC Name6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCN1CCN(S(=O)(=O)c2ccc(-n3[nH]c4c(c3=O)CCN(Cc3cccc(Cl)c3)C4)nc2)CC1
InChIInChI=1S/C23H27ClN6O3S/c1-27-9-11-29(12-10-27)34(32,33)19-5-6-22(25-14-19)30-23(31)20-7-8-28(16-21(20)26-30)15-17-3-2-4-18(24)13-17/h2-6,13-14,26H,7-12,15-16H2,1H3
InChIKeyMKWXNSAPMBPEAT-UHFFFAOYSA-N
XLogP1.71
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.03
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chlorophenyl)-6-(3-pyridylsulfonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
CID 53183938
4-[(2-chloro-6-fluorophenyl)methyl]-2-[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
CID 46700956
4-[(2-chlorophenyl)methyl]-5-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]-1H-pyrazol-3-one;2,2,2-trifluoroacetic acid
CID 46832573
N,N-diethyl-6-[4-[(2-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide
CID 46832866
4-[(2-fluorophenyl)methyl]-5-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-1H-pyrazol-3-one
CID 46832870
4-[(2-fluorophenyl)methyl]-5-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-pyrazol-3-one
CID 46833170
4-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-1H-pyrazol-3-one
CID 46833476
6-[4-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N-ethyl-N-phenylpyridine-3-sulfonamide
CID 46833477
4-(3-Chloro-4-fluorophenyl)-9-(4-methylphenyl)sulfonyl-3,4,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),11,13-tetraen-5-one
CID 46932619
N-[6-(4-benzyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]-3-chloro-4-fluorobenzenesulfonamide
CID 59407030
2-[5-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-pyridinyl]-4-[(2-fluorophenyl)methyl]-5-methyl-1H-pyrazol-3-one
CID 67456362
4-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-pyrazol-3-one
CID 67456791

Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67355726) is 6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is CN1CCN(S(=O)(=O)c2ccc(-n3[nH]c4c(c3=O)CCN(Cc3cccc(Cl)c3)C4)nc2)CC1.
What is the InChIKey of 6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is MKWXNSAPMBPEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O3S/c1-27-9-11-29(12-10-27)34(32,33)19-5-6-22(25-14-19)30-23(31)20-7-8-28(16-21(20)26-30)15-17-3-2-4-18(24)13-17/h2-6,13-14,26H,7-12,15-16H2,1H3.
What are the key properties of 6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 503.03 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methyl]-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67355726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).