[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

C20H18ClN3O3 — CID 44816769

IUPAC[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESCOc1cc(-c2ccc(C(=O)N3CC4CC3CO4)cc2)cn2ncc(Cl)c12
InChIInChI=1S/C20H18ClN3O3/c1-26-18-6-14(9-24-19(18)17(21)8-22-24)12-2-4-13(5-3-12)20(25)23-10-16-7-15(23)11-27-16/h2-6,8-9,15-16H,7,10-11H2,1H3
InChIKeyKBZZPWZQYYGEKF-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.28
Rot. Bonds3

About [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone

[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (PubChem CID 44816769) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.

Molecular Properties

Compound Name[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
PubChem CID44816769
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone
SMILESCOc1cc(-c2ccc(C(=O)N3CC4CC3CO4)cc2)cn2ncc(Cl)c12
InChIInChI=1S/C20H18ClN3O3/c1-26-18-6-14(9-24-19(18)17(21)8-22-24)12-2-4-13(5-3-12)20(25)23-10-16-7-15(23)11-27-16/h2-6,8-9,15-16H,7,10-11H2,1H3
InChIKeyKBZZPWZQYYGEKF-UHFFFAOYSA-N
XLogP3.28
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The IUPAC name of [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone (CID 44816769) is [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone.
What is the SMILES notation for [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The canonical SMILES for [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is COc1cc(-c2ccc(C(=O)N3CC4CC3CO4)cc2)cn2ncc(Cl)c12.
What is the InChIKey of [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
The InChIKey is KBZZPWZQYYGEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-26-18-6-14(9-24-19(18)17(21)8-22-24)12-2-4-13(5-3-12)20(25)23-10-16-7-15(23)11-27-16/h2-6,8-9,15-16H,7,10-11H2,1H3.
What are the key properties of [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone?
[4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone has a molecular weight of 383.84 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-4-methoxypyrazolo[1,5-a]pyridin-6-yl)phenyl]-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)methanone is sourced from PubChem (CID 44816769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).