6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C17H23N7O2S — CID 57397064

IUPAC6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCn2ccnc2)nc1
InChIInChI=1S/C17H23N7O2S/c1-13-17(14(2)23(3)21-13)22-27(25,26)15-5-6-16(20-11-15)19-7-4-9-24-10-8-18-12-24/h5-6,8,10-12,22H,4,7,9H2,1-3H3,(H,19,20)
InChIKeyCDCHGPKFJGINHS-UHFFFAOYSA-N
MW389.49 g/mol
LogP1.93
Rot. Bonds8

About 6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57397064) has the molecular formula C17H23N7O2S and a molecular weight of 389.49 g/mol. Its IUPAC name is 6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57397064
Molecular FormulaC17H23N7O2S
Molecular Weight389.49 g/mol
Exact Mass389.16
IUPAC Name6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCn2ccnc2)nc1
InChIInChI=1S/C17H23N7O2S/c1-13-17(14(2)23(3)21-13)22-27(25,26)15-5-6-16(20-11-15)19-7-4-9-24-10-8-18-12-24/h5-6,8,10-12,22H,4,7,9H2,1-3H3,(H,19,20)
InChIKeyCDCHGPKFJGINHS-UHFFFAOYSA-N
XLogP1.93
TPSA106.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57397064) is 6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCn2ccnc2)nc1.
What is the InChIKey of 6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is CDCHGPKFJGINHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O2S/c1-13-17(14(2)23(3)21-13)22-27(25,26)15-5-6-16(20-11-15)19-7-4-9-24-10-8-18-12-24/h5-6,8,10-12,22H,4,7,9H2,1-3H3,(H,19,20).
What are the key properties of 6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 389.49 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-imidazol-1-ylpropylamino)-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57397064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).