(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

C24H29N5O3S — CID 32617049

IUPAC(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c12
InChIInChI=1S/C24H29N5O3S/c1-17(2)21-16-20(22-18(3)26-27(4)23(22)25-21)24(30)28-11-13-29(14-12-28)33(31,32)15-10-19-8-6-5-7-9-19/h5-10,15-17H,11-14H2,1-4H3/b15-10+
InChIKeySCAUXQXTXPSHHY-XNTDXEJSSA-N
MW467.60 g/mol
LogP3.16
Rot. Bonds5

About (1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone

(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (PubChem CID 32617049) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is (1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
PubChem CID32617049
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
SMILESCc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c12
InChIInChI=1S/C24H29N5O3S/c1-17(2)21-16-20(22-18(3)26-27(4)23(22)25-21)24(30)28-11-13-29(14-12-28)33(31,32)15-10-19-8-6-5-7-9-19/h5-10,15-17H,11-14H2,1-4H3/b15-10+
InChIKeySCAUXQXTXPSHHY-XNTDXEJSSA-N
XLogP3.16
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 33222733
(2,5-dimethylpyrazol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55884111
(2,6-dimethylquinolin-4-yl)-[4-(2-phenylethenylsulfonyl)piperazin-1-yl]methanone
CID 73419376
N,1,3-trimethyl-N-[(1S)-1-phenylethyl]-6-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 32909140
(2-bromophenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 26870461
(5-methyl-1-phenylpyrazol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 55755585
[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 17482339
(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 17454186
ethyl 2-methyl-6-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyridine-3-carboxylate
CID 55630440
(2,4-dimethoxyphenyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 9496766
1,3-dimethyl-6-propan-2-yl-N-(3-pyrrolidin-1-ylsulfonylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 25469310
(2-methylcyclopropyl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51154227

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone (CID 32617049) is (1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c12.
What is the InChIKey of (1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
The InChIKey is SCAUXQXTXPSHHY-XNTDXEJSSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-17(2)21-16-20(22-18(3)26-27(4)23(22)25-21)24(30)28-11-13-29(14-12-28)33(31,32)15-10-19-8-6-5-7-9-19/h5-10,15-17H,11-14H2,1-4H3/b15-10+.
What are the key properties of (1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone?
(1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone has a molecular weight of 467.60 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 32617049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).