4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine

C18H15Cl2F2N5O2S — CID 176551898

IUPAC4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine
SMILESCN(Nc1nccc(Cc2cncc(Nc3ccc(Cl)cc3F)c2Cl)c1F)S(=O)O
InChIInChI=1S/C18H15Cl2F2N5O2S/c1-27(30(28)29)26-18-17(22)10(4-5-24-18)6-11-8-23-9-15(16(11)20)25-14-3-2-12(19)7-13(14)21/h2-5,7-9,25H,6H2,1H3,(H,24,26)(H,28,29)
InChIKeyWNQPSOYEAOQVAC-UHFFFAOYSA-N
MW474.32 g/mol
LogP4.79
Rot. Bonds7

About 4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine

4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine (PubChem CID 176551898) has the molecular formula C18H15Cl2F2N5O2S and a molecular weight of 474.32 g/mol. Its IUPAC name is 4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine.

Molecular Properties

Compound Name4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine
PubChem CID176551898
Molecular FormulaC18H15Cl2F2N5O2S
Molecular Weight474.32 g/mol
Exact Mass473.03
IUPAC Name4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine
SMILESCN(Nc1nccc(Cc2cncc(Nc3ccc(Cl)cc3F)c2Cl)c1F)S(=O)O
InChIInChI=1S/C18H15Cl2F2N5O2S/c1-27(30(28)29)26-18-17(22)10(4-5-24-18)6-11-8-23-9-15(16(11)20)25-14-3-2-12(19)7-13(14)21/h2-5,7-9,25H,6H2,1H3,(H,24,26)(H,28,29)
InChIKeyWNQPSOYEAOQVAC-UHFFFAOYSA-N
XLogP4.79
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.32
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine
CID 174161802
4-[[3-(4-chloro-2-fluoroanilino)-2-methylphenyl]methyl]-3-fluoro-N-(methylsulfamoyl)pyridin-2-amine
CID 174163632
tert-butyl N-[4-[[5-[(4-chloro-2-fluorophenyl)methyl]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]carbamate
CID 174161946
4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
CID 174161437
N-[4-[[5-(4-bromo-2-fluoroanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]-N-methylsulfonylmethanesulfonamide
CID 174161666
[4-[[5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-4-methyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174161657
5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine
CID 174161535
2-[[2-(aminosulfanylamino)-3-fluoro-4-pyridinyl]methyl]-5-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 166677473
[4-[[3-(4-chloro-2-fluoroanilino)-2-methylphenyl]methyl]-3-fluoro-2-pyridinyl]-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 174161821
3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
CID 174161470
4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine
CID 177270251
tert-butyl N-[3-fluoro-4-[[5-[2-fluoro-4-(trifluoromethyl)anilino]-4-methyl-3-pyridinyl]methyl]-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 174161497

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine?
The IUPAC name of 4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine (CID 176551898) is 4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine.
What is the SMILES notation for 4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine?
The canonical SMILES for 4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine is CN(Nc1nccc(Cc2cncc(Nc3ccc(Cl)cc3F)c2Cl)c1F)S(=O)O.
What is the InChIKey of 4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine?
The InChIKey is WNQPSOYEAOQVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F2N5O2S/c1-27(30(28)29)26-18-17(22)10(4-5-24-18)6-11-8-23-9-15(16(11)20)25-14-3-2-12(19)7-13(14)21/h2-5,7-9,25H,6H2,1H3,(H,24,26)(H,28,29).
What are the key properties of 4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine?
4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine has a molecular weight of 474.32 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-5-(4-chloro-2-fluoroanilino)-3-pyridinyl]methyl]-3-fluoro-2-(2-methyl-2-sulfinohydrazinyl)pyridine is sourced from PubChem (CID 176551898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).