(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

C24H29N5O3S — CID 16609817

IUPAC(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)c1
InChIInChI=1S/C24H29N5O3S/c1-15-5-6-16(2)21(13-15)33(31,32)29-11-9-28(10-12-29)24(30)19-14-20(18-7-8-18)25-23-22(19)17(3)26-27(23)4/h5-6,13-14,18H,7-12H2,1-4H3
InChIKeyKWQVRVYABKJKEC-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.92
Rot. Bonds4

About (6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 16609817) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is (6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID16609817
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)c1
InChIInChI=1S/C24H29N5O3S/c1-15-5-6-16(2)21(13-15)33(31,32)29-11-9-28(10-12-29)24(30)19-14-20(18-7-8-18)25-23-22(19)17(3)26-27(23)4/h5-6,13-14,18H,7-12H2,1-4H3
InChIKeyKWQVRVYABKJKEC-UHFFFAOYSA-N
XLogP2.92
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one
CID 16623146
1-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 34840370
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-pyrrolidin-1-ylmethanone
CID 39891388
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 60510310
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 55516246
(1-butyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 17026577
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35337435
1-(azepan-1-yl)-2-[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 35612520
6-cyclopropyl-N-(2,5-dimethylphenyl)-N-ethyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55591862
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 134028095
[1-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492035
6-cyclopropyl-N-[1-(2,5-dimethylphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46564121

Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 16609817) is (6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(C4CC4)nc4c3c(C)nn4C)CC2)c1.
What is the InChIKey of (6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is KWQVRVYABKJKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-15-5-6-16(2)21(13-15)33(31,32)29-11-9-28(10-12-29)24(30)19-14-20(18-7-8-18)25-23-22(19)17(3)26-27(23)4/h5-6,13-14,18H,7-12H2,1-4H3.
What are the key properties of (6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone?
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 467.60 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 16609817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).