N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide

C22H29N5O2S — CID 24818878

IUPACN-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
SMILESCC(C)n1cc(CN2CCCC(CNS(=O)(=O)c3cccc4cccnc34)C2)cn1
InChIInChI=1S/C22H29N5O2S/c1-17(2)27-16-19(12-24-27)15-26-11-5-6-18(14-26)13-25-30(28,29)21-9-3-7-20-8-4-10-23-22(20)21/h3-4,7-10,12,16-18,25H,5-6,11,13-15H2,1-2H3
InChIKeyQNAGCQAWNWMBDI-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.20
Rot. Bonds7

About N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide

N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide (PubChem CID 24818878) has the molecular formula C22H29N5O2S and a molecular weight of 427.57 g/mol. Its IUPAC name is N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
PubChem CID24818878
Molecular FormulaC22H29N5O2S
Molecular Weight427.57 g/mol
Exact Mass427.20
IUPAC NameN-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
SMILESCC(C)n1cc(CN2CCCC(CNS(=O)(=O)c3cccc4cccnc34)C2)cn1
InChIInChI=1S/C22H29N5O2S/c1-17(2)27-16-19(12-24-27)15-26-11-5-6-18(14-26)13-25-30(28,29)21-9-3-7-20-8-4-10-23-22(20)21/h3-4,7-10,12,16-18,25H,5-6,11,13-15H2,1-2H3
InChIKeyQNAGCQAWNWMBDI-UHFFFAOYSA-N
XLogP3.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide (CID 24818878) is N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide is CC(C)n1cc(CN2CCCC(CNS(=O)(=O)c3cccc4cccnc34)C2)cn1.
What is the InChIKey of N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is QNAGCQAWNWMBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2S/c1-17(2)27-16-19(12-24-27)15-26-11-5-6-18(14-26)13-25-30(28,29)21-9-3-7-20-8-4-10-23-22(20)21/h3-4,7-10,12,16-18,25H,5-6,11,13-15H2,1-2H3.
What are the key properties of N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide?
N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 427.57 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 24818878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).