6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine

C18H17ClN2O2 — CID 164632230

IUPAC6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine
SMILESClc1ccc2c(-c3cccc(CO[C@H]4CCOC4)c3)cnn2c1
InChIInChI=1S/C18H17ClN2O2/c19-15-4-5-18-17(9-20-21(18)10-15)14-3-1-2-13(8-14)11-23-16-6-7-22-12-16/h1-5,8-10,16H,6-7,11-12H2/t16-/m0/s1
InChIKeyJNVKRPKNVDOCOG-INIZCTEOSA-N
MW328.80 g/mol
LogP3.96
Rot. Bonds4

About 6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine

6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine (PubChem CID 164632230) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine
PubChem CID164632230
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine
SMILESClc1ccc2c(-c3cccc(CO[C@H]4CCOC4)c3)cnn2c1
InChIInChI=1S/C18H17ClN2O2/c19-15-4-5-18-17(9-20-21(18)10-15)14-3-1-2-13(8-14)11-23-16-6-7-22-12-16/h1-5,8-10,16H,6-7,11-12H2/t16-/m0/s1
InChIKeyJNVKRPKNVDOCOG-INIZCTEOSA-N
XLogP3.96
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine (CID 164632230) is 6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine is Clc1ccc2c(-c3cccc(CO[C@H]4CCOC4)c3)cnn2c1.
What is the InChIKey of 6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine?
The InChIKey is JNVKRPKNVDOCOG-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-15-4-5-18-17(9-20-21(18)10-15)14-3-1-2-13(8-14)11-23-16-6-7-22-12-16/h1-5,8-10,16H,6-7,11-12H2/t16-/m0/s1.
What are the key properties of 6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine?
6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine has a molecular weight of 328.80 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[[(3S)-oxolan-3-yl]oxymethyl]phenyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 164632230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).