4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine

C17H22N2O2 — CID 118706763

IUPAC4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine
SMILESCOC1c2cc(COc3ccccc3)nn2CCC1(C)C
InChIInChI=1S/C17H22N2O2/c1-17(2)9-10-19-15(16(17)20-3)11-13(18-19)12-21-14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3
InChIKeyYOHZHQKEMBLOFZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.58
Rot. Bonds4

About 4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine

4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine (PubChem CID 118706763) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine
PubChem CID118706763
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine
SMILESCOC1c2cc(COc3ccccc3)nn2CCC1(C)C
InChIInChI=1S/C17H22N2O2/c1-17(2)9-10-19-15(16(17)20-3)11-13(18-19)12-21-14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3
InChIKeyYOHZHQKEMBLOFZ-UHFFFAOYSA-N
XLogP3.58
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Methylphenyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814128
5-methyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118706137
5,5-Dimethyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
CID 118706757
2-(Phenoxymethyl)spiro[6,7-dihydropyrazolo[1,5-a]pyridine-5,1'-cyclopentane]-4-one
CID 118706758
2-(Phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706765
2-(Phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706776
N-benzyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706778
N-benzyl-N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706780
N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706784
4,4-difluoro-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine
CID 118706957
2-(3-Methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814124
4-Methoxy-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706762

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
The IUPAC name of 4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine (CID 118706763) is 4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine is COC1c2cc(COc3ccccc3)nn2CCC1(C)C.
What is the InChIKey of 4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
The InChIKey is YOHZHQKEMBLOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2)9-10-19-15(16(17)20-3)11-13(18-19)12-21-14-7-5-4-6-8-14/h4-8,11,16H,9-10,12H2,1-3H3.
What are the key properties of 4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine has a molecular weight of 286.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 118706763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).