2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide

C20H26N6O2S — CID 58561133

IUPAC2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc2nc(NC3CCNCC3)ccc2c1
InChIInChI=1S/C20H26N6O2S/c1-13-20(14(2)26(3)24-13)25-29(27,28)17-5-6-18-15(12-17)4-7-19(23-18)22-16-8-10-21-11-9-16/h4-7,12,16,21,25H,8-11H2,1-3H3,(H,22,23)
InChIKeyFIXVKPXOJAOJDZ-UHFFFAOYSA-N
MW414.54 g/mol
LogP2.55
Rot. Bonds5

About 2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide

2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide (PubChem CID 58561133) has the molecular formula C20H26N6O2S and a molecular weight of 414.54 g/mol. Its IUPAC name is 2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide
PubChem CID58561133
Molecular FormulaC20H26N6O2S
Molecular Weight414.54 g/mol
Exact Mass414.18
IUPAC Name2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc2nc(NC3CCNCC3)ccc2c1
InChIInChI=1S/C20H26N6O2S/c1-13-20(14(2)26(3)24-13)25-29(27,28)17-5-6-18-15(12-17)4-7-19(23-18)22-16-8-10-21-11-9-16/h4-7,12,16,21,25H,8-11H2,1-3H3,(H,22,23)
InChIKeyFIXVKPXOJAOJDZ-UHFFFAOYSA-N
XLogP2.55
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide?
The IUPAC name of 2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide (CID 58561133) is 2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide.
What is the SMILES notation for 2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide?
The canonical SMILES for 2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2nc(NC3CCNCC3)ccc2c1.
What is the InChIKey of 2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide?
The InChIKey is FIXVKPXOJAOJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2S/c1-13-20(14(2)26(3)24-13)25-29(27,28)17-5-6-18-15(12-17)4-7-19(23-18)22-16-8-10-21-11-9-16/h4-7,12,16,21,25H,8-11H2,1-3H3,(H,22,23).
What are the key properties of 2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide?
2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide has a molecular weight of 414.54 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylamino)-N-(1,3,5-trimethylpyrazol-4-yl)quinoline-6-sulfonamide is sourced from PubChem (CID 58561133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).