N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine

C15H17FN4OS — CID 167271296

IUPACN-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine
SMILESCSc1cn(C2COC2)nc1-c1ccc(NC2CC2)nc1F
InChIInChI=1S/C15H17FN4OS/c1-22-12-6-20(10-7-21-8-10)19-14(12)11-4-5-13(18-15(11)16)17-9-2-3-9/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyZFXDOSOKZOJTBK-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.95
Rot. Bonds5

About N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine

N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine (PubChem CID 167271296) has the molecular formula C15H17FN4OS and a molecular weight of 320.39 g/mol. Its IUPAC name is N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine
PubChem CID167271296
Molecular FormulaC15H17FN4OS
Molecular Weight320.39 g/mol
Exact Mass320.11
IUPAC NameN-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine
SMILESCSc1cn(C2COC2)nc1-c1ccc(NC2CC2)nc1F
InChIInChI=1S/C15H17FN4OS/c1-22-12-6-20(10-7-21-8-10)19-14(12)11-4-5-13(18-15(11)16)17-9-2-3-9/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,18)
InChIKeyZFXDOSOKZOJTBK-UHFFFAOYSA-N
XLogP2.95
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine (CID 167271296) is N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine is CSc1cn(C2COC2)nc1-c1ccc(NC2CC2)nc1F.
What is the InChIKey of N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine?
The InChIKey is ZFXDOSOKZOJTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4OS/c1-22-12-6-20(10-7-21-8-10)19-14(12)11-4-5-13(18-15(11)16)17-9-2-3-9/h4-6,9-10H,2-3,7-8H2,1H3,(H,17,18).
What are the key properties of N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine?
N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine has a molecular weight of 320.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-fluoro-5-[4-methylsulfanyl-1-(oxetan-3-yl)pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 167271296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).