3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine

C20H23BClN3O3 — CID 178130641

IUPAC3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
SMILESC[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)cn2ncc(Cl)c12)c1ccccn1
InChIInChI=1S/C20H23BClN3O3/c1-13(16-8-6-7-9-23-16)26-17-10-14(12-25-18(17)15(22)11-24-25)21-27-19(2,3)20(4,5)28-21/h6-13H,1-5H3/t13-/m1/s1
InChIKeyWKURMSSWLLOGRC-CYBMUJFWSA-N
MW399.69 g/mol
LogP3.82
Rot. Bonds4

About 3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine

3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (PubChem CID 178130641) has the molecular formula C20H23BClN3O3 and a molecular weight of 399.69 g/mol. Its IUPAC name is 3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
PubChem CID178130641
Molecular FormulaC20H23BClN3O3
Molecular Weight399.69 g/mol
Exact Mass399.15
IUPAC Name3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
SMILESC[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)cn2ncc(Cl)c12)c1ccccn1
InChIInChI=1S/C20H23BClN3O3/c1-13(16-8-6-7-9-23-16)26-17-10-14(12-25-18(17)15(22)11-24-25)21-27-19(2,3)20(4,5)28-21/h6-13H,1-5H3/t13-/m1/s1
InChIKeyWKURMSSWLLOGRC-CYBMUJFWSA-N
XLogP3.82
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.69
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072633
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CID 25070740
6-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072632
2-[(5-Chloro-2-pyridinyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71813656
5-(2-methoxyethyl)-1-methyl-3-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 97405730
4-(3-Chloropyrazolo[1,5-a]pyridin-4-yl)oxy-3-fluoroaniline
CID 118197738
4-Chloro-2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl]pyrazolo[4,3-c]pyridine
CID 118443060
4-Chloro-2-[1-[4-methyl-5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]pyrazolo[4,3-c]pyridine
CID 118443114
4-Chloro-2-[[4-methyl-5-(3,3,3-trifluoropropoxy)pyridin-2-yl]methyl]pyrazolo[4,3-c]pyridine
CID 118443116
4-Chloro-2-[[5-(2,2-difluoropropoxy)-4-methylpyridin-2-yl]methyl]pyrazolo[4,3-c]pyridine
CID 118443154
1-[3-Chloro-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol
CID 134434731
3-Chloro-6-ethoxy-4-(6-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyridine
CID 134496751

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (CID 178130641) is 3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is C[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)cn2ncc(Cl)c12)c1ccccn1.
What is the InChIKey of 3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is WKURMSSWLLOGRC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23BClN3O3/c1-13(16-8-6-7-9-23-16)26-17-10-14(12-25-18(17)15(22)11-24-25)21-27-19(2,3)20(4,5)28-21/h6-13H,1-5H3/t13-/m1/s1.
What are the key properties of 3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 399.69 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 178130641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).