6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane

C11H11ClN4O — CID 170577040

IUPAC6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane
SMILESClc1cc2[nH]nc(N3CC4(COC4)C3)c2cn1
InChIInChI=1S/C11H11ClN4O/c12-9-1-8-7(2-13-9)10(15-14-8)16-3-11(4-16)5-17-6-11/h1-2H,3-6H2,(H,14,15)
InChIKeyNFUGTOPJZDKCNV-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.45
Rot. Bonds1

About 6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane

6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 170577040) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane
PubChem CID170577040
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane
SMILESClc1cc2[nH]nc(N3CC4(COC4)C3)c2cn1
InChIInChI=1S/C11H11ClN4O/c12-9-1-8-7(2-13-9)10(15-14-8)16-3-11(4-16)5-17-6-11/h1-2H,3-6H2,(H,14,15)
InChIKeyNFUGTOPJZDKCNV-UHFFFAOYSA-N
XLogP1.45
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[6-Chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 117775606
6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 170351595
6-chloro-3-(3,3-difluoro-4-methoxypyrrolidin-1-yl)-1H-pyrazolo[4,3-c]pyridine
CID 170351596
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 170351661
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoroazetidine-3-carbonitrile
CID 170351662
[1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-5-methylpyrrolidin-3-yl] 2,2,2-trifluoroacetate
CID 170351674
6-chloro-3-(4-methoxypiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 170351698
1-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-3-fluoropyrrolidine-3-carbonitrile
CID 170351876
6-chloro-3-(3-fluoroazetidin-1-yl)-1H-pyrazolo[4,3-c]pyridine
CID 170576762
6-chloro-3-[3-(trifluoromethoxy)azetidin-1-yl]-1H-pyrazolo[4,3-c]pyridine
CID 170576790
1-[6-Chloro-1-(oxan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]-3-fluoroazetidine-3-carbonitrile
CID 170576808
6-[6-Chloro-1-[4-(1,1-difluoroethyl)pyrimidin-2-yl]pyrazolo[4,3-c]pyridin-3-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 170577141

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane (CID 170577040) is 6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane is Clc1cc2[nH]nc(N3CC4(COC4)C3)c2cn1.
What is the InChIKey of 6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is NFUGTOPJZDKCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c12-9-1-8-7(2-13-9)10(15-14-8)16-3-11(4-16)5-17-6-11/h1-2H,3-6H2,(H,14,15).
What are the key properties of 6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane?
6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 250.69 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 170577040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).