(7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone

C19H19N3O3 — CID 164640271

IUPAC(7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone
SMILESCOc1cccc2c(C(=O)N3COCC[C@H]3c3ccccc3)cnn12
InChIInChI=1S/C19H19N3O3/c1-24-18-9-5-8-17-15(12-20-22(17)18)19(23)21-13-25-11-10-16(21)14-6-3-2-4-7-14/h2-9,12,16H,10-11,13H2,1H3/t16-/m0/s1
InChIKeyOFBZTKMANSDRBN-INIZCTEOSA-N
MW337.38 g/mol
LogP2.90
Rot. Bonds3

About (7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone

(7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone (PubChem CID 164640271) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone.

Molecular Properties

Compound Name(7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone
PubChem CID164640271
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone
SMILESCOc1cccc2c(C(=O)N3COCC[C@H]3c3ccccc3)cnn12
InChIInChI=1S/C19H19N3O3/c1-24-18-9-5-8-17-15(12-20-22(17)18)19(23)21-13-25-11-10-16(21)14-6-3-2-4-7-14/h2-9,12,16H,10-11,13H2,1H3/t16-/m0/s1
InChIKeyOFBZTKMANSDRBN-INIZCTEOSA-N
XLogP2.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone?
The IUPAC name of (7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone (CID 164640271) is (7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone.
What is the SMILES notation for (7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone?
The canonical SMILES for (7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone is COc1cccc2c(C(=O)N3COCC[C@H]3c3ccccc3)cnn12.
What is the InChIKey of (7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone?
The InChIKey is OFBZTKMANSDRBN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-18-9-5-8-17-15(12-20-22(17)18)19(23)21-13-25-11-10-16(21)14-6-3-2-4-7-14/h2-9,12,16H,10-11,13H2,1H3/t16-/m0/s1.
What are the key properties of (7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone?
(7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxypyrazolo[1,5-a]pyridin-3-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone is sourced from PubChem (CID 164640271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).