5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C19H11ClFN5S — CID 144688005

IUPAC5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2ccc(-c3cnc(Cl)c(NSc4ccc(F)cc4)c3)cc12
InChIInChI=1S/C19H11ClFN5S/c20-19-17(25-27-16-3-1-15(21)2-4-16)7-13(10-23-19)12-5-6-26-18(8-12)14(9-22)11-24-26/h1-8,10-11,25H
InChIKeyNBNJUNBIPGPRSQ-UHFFFAOYSA-N
MW395.85 g/mol
LogP5.18
Rot. Bonds4

About 5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 144688005) has the molecular formula C19H11ClFN5S and a molecular weight of 395.85 g/mol. Its IUPAC name is 5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID144688005
Molecular FormulaC19H11ClFN5S
Molecular Weight395.85 g/mol
Exact Mass395.04
IUPAC Name5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESN#Cc1cnn2ccc(-c3cnc(Cl)c(NSc4ccc(F)cc4)c3)cc12
InChIInChI=1S/C19H11ClFN5S/c20-19-17(25-27-16-3-1-15(21)2-4-16)7-13(10-23-19)12-5-6-26-18(8-12)14(9-22)11-24-26/h1-8,10-11,25H
InChIKeyNBNJUNBIPGPRSQ-UHFFFAOYSA-N
XLogP5.18
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.85
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 144688005) is 5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is N#Cc1cnn2ccc(-c3cnc(Cl)c(NSc4ccc(F)cc4)c3)cc12.
What is the InChIKey of 5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NBNJUNBIPGPRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN5S/c20-19-17(25-27-16-3-1-15(21)2-4-16)7-13(10-23-19)12-5-6-26-18(8-12)14(9-22)11-24-26/h1-8,10-11,25H.
What are the key properties of 5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 395.85 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-chloro-5-[(4-fluorophenyl)sulfanylamino]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 144688005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).