5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide

C17H19ClN6O3S2 — CID 58169287

IUPAC5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C17H19ClN6O3S2/c1-27-7-6-20-29(25,26)15-5-4-13(28-15)17-19-9-11(18)16(22-17)21-14-8-12(23-24-14)10-2-3-10/h4-5,8-10,20H,2-3,6-7H2,1H3,(H2,19,21,22,23,24)
InChIKeyQSWNKPXPZDGWKB-UHFFFAOYSA-N
MW454.97 g/mol
LogP3.13
Rot. Bonds9

About 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide

5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide (PubChem CID 58169287) has the molecular formula C17H19ClN6O3S2 and a molecular weight of 454.97 g/mol. Its IUPAC name is 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide
PubChem CID58169287
Molecular FormulaC17H19ClN6O3S2
Molecular Weight454.97 g/mol
Exact Mass454.06
IUPAC Name5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide
SMILESCOCCNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1
InChIInChI=1S/C17H19ClN6O3S2/c1-27-7-6-20-29(25,26)15-5-4-13(28-15)17-19-9-11(18)16(22-17)21-14-8-12(23-24-14)10-2-3-10/h4-5,8-10,20H,2-3,6-7H2,1H3,(H2,19,21,22,23,24)
InChIKeyQSWNKPXPZDGWKB-UHFFFAOYSA-N
XLogP3.13
TPSA121.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.97
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-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 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The IUPAC name of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide (CID 58169287) is 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide is COCCNS(=O)(=O)c1ccc(-c2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)s1.
What is the InChIKey of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide?
The InChIKey is QSWNKPXPZDGWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O3S2/c1-27-7-6-20-29(25,26)15-5-4-13(28-15)17-19-9-11(18)16(22-17)21-14-8-12(23-24-14)10-2-3-10/h4-5,8-10,20H,2-3,6-7H2,1H3,(H2,19,21,22,23,24).
What are the key properties of 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide?
5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide has a molecular weight of 454.97 g/mol, XLogP of 3.13, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-(2-methoxyethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 58169287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).