1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile

C15H15ClFN5O — CID 170576808

IUPAC1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile
SMILESN#CC1(F)CN(c2nn(C3CCCCO3)c3cc(Cl)ncc23)C1
InChIInChI=1S/C15H15ClFN5O/c16-12-5-11-10(6-19-12)14(21-8-15(17,7-18)9-21)20-22(11)13-3-1-2-4-23-13/h5-6,13H,1-4,8-9H2
InChIKeyXQJGDGSDRKAIQW-UHFFFAOYSA-N
MW335.77 g/mol
LogP2.84
Rot. Bonds2

About 1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile

1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile (PubChem CID 170576808) has the molecular formula C15H15ClFN5O and a molecular weight of 335.77 g/mol. Its IUPAC name is 1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile
PubChem CID170576808
Molecular FormulaC15H15ClFN5O
Molecular Weight335.77 g/mol
Exact Mass335.09
IUPAC Name1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile
SMILESN#CC1(F)CN(c2nn(C3CCCCO3)c3cc(Cl)ncc23)C1
InChIInChI=1S/C15H15ClFN5O/c16-12-5-11-10(6-19-12)14(21-8-15(17,7-18)9-21)20-22(11)13-3-1-2-4-23-13/h5-6,13H,1-4,8-9H2
InChIKeyXQJGDGSDRKAIQW-UHFFFAOYSA-N
XLogP2.84
TPSA66.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 52.84
H-Bond Donors ≤ 50
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 1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile?
The IUPAC name of 1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile (CID 170576808) is 1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile.
What is the SMILES notation for 1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile?
The canonical SMILES for 1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile is N#CC1(F)CN(c2nn(C3CCCCO3)c3cc(Cl)ncc23)C1.
What is the InChIKey of 1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile?
The InChIKey is XQJGDGSDRKAIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN5O/c16-12-5-11-10(6-19-12)14(21-8-15(17,7-18)9-21)20-22(11)13-3-1-2-4-23-13/h5-6,13H,1-4,8-9H2.
What are the key properties of 1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile?
1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile has a molecular weight of 335.77 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile is sourced from PubChem (CID 170576808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).