2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine

C16H16ClF3N4O4S — CID 139399973

IUPAC2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine
SMILESO=C(NS(=O)O)c1ccc(-n2ccc(OCCCC3(C(F)(F)F)CC3)n2)nc1Cl
InChIInChI=1S/C16H16ClF3N4O4S/c17-13-10(14(25)23-29(26)27)2-3-11(21-13)24-8-4-12(22-24)28-9-1-5-15(6-7-15)16(18,19)20/h2-4,8H,1,5-7,9H2,(H,23,25)(H,26,27)
InChIKeyOJDOEHNYTGFXHI-UHFFFAOYSA-N
MW452.84 g/mol
LogP3.29
Rot. Bonds8

About 2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine

2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine (PubChem CID 139399973) has the molecular formula C16H16ClF3N4O4S and a molecular weight of 452.84 g/mol. Its IUPAC name is 2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine
PubChem CID139399973
Molecular FormulaC16H16ClF3N4O4S
Molecular Weight452.84 g/mol
Exact Mass452.05
IUPAC Name2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine
SMILESO=C(NS(=O)O)c1ccc(-n2ccc(OCCCC3(C(F)(F)F)CC3)n2)nc1Cl
InChIInChI=1S/C16H16ClF3N4O4S/c17-13-10(14(25)23-29(26)27)2-3-11(21-13)24-8-4-12(22-24)28-9-1-5-15(6-7-15)16(18,19)20/h2-4,8H,1,5-7,9H2,(H,23,25)(H,26,27)
InChIKeyOJDOEHNYTGFXHI-UHFFFAOYSA-N
XLogP3.29
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.84
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

Analyze 2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-2-pyridinyl]sulfinyl]-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 147401421
2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propylamino]-3-pyridinyl]sulfinyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 139399787
2-chloro-N-(3-fluorophenyl)sulfonyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134393477
2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 139389139
[[2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carbonyl]amino] (1E)-N-(1-fluoroethenyl)prop-2-enimidothioate
CID 153335620
N-[[6-(butylamino)-2-pyridinyl]sulfanyl]-2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 156639214
2-chloro-N-(2-methylphenyl)sulfonyl-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134398827
2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-2-yl)propoxy]-2-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 139416521
2-chloro-N-[[6-[3-(5,5-dimethylpyrrolidin-3-yl)propoxy]-3-pyridinyl]sulfonyl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 139416353
N-[[6-[3-[(3S)-5,5-bis(trideuteriomethyl)pyrrolidin-3-yl]propylamino]-2-pyridinyl]sulfonyl]-2-chloro-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 139389030
2-chloro-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine
CID 140856590
tert-butyl 4-[2-[[6-[[2-chloro-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carbonyl]amino]sulfanyl-2-pyridinyl]amino]ethyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 139428666

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine?
The IUPAC name of 2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine (CID 139399973) is 2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine?
The canonical SMILES for 2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine is O=C(NS(=O)O)c1ccc(-n2ccc(OCCCC3(C(F)(F)F)CC3)n2)nc1Cl.
What is the InChIKey of 2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine?
The InChIKey is OJDOEHNYTGFXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O4S/c17-13-10(14(25)23-29(26)27)2-3-11(21-13)24-8-4-12(22-24)28-9-1-5-15(6-7-15)16(18,19)20/h2-4,8H,1,5-7,9H2,(H,23,25)(H,26,27).
What are the key properties of 2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine?
2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine has a molecular weight of 452.84 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(sulfinocarbamoyl)-6-[3-[3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine is sourced from PubChem (CID 139399973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).