2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C21H22N2O2 — CID 118706765

IUPAC2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESc1ccc(COC2CCCn3nc(COc4ccccc4)cc32)cc1
InChIInChI=1S/C21H22N2O2/c1-3-8-17(9-4-1)15-25-21-12-7-13-23-20(21)14-18(22-23)16-24-19-10-5-2-6-11-19/h1-6,8-11,14,21H,7,12-13,15-16H2
InChIKeyGRKBJXUSSNESGO-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.51
Rot. Bonds6

About 2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 118706765) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID118706765
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESc1ccc(COC2CCCn3nc(COc4ccccc4)cc32)cc1
InChIInChI=1S/C21H22N2O2/c1-3-8-17(9-4-1)15-25-21-12-7-13-23-20(21)14-18(22-23)16-24-19-10-5-2-6-11-19/h1-6,8-11,14,21H,7,12-13,15-16H2
InChIKeyGRKBJXUSSNESGO-UHFFFAOYSA-N
XLogP4.51
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxybenzyl)-3-((4-methoxybenzyl)oxy)-1H-indazole
CID 51357040
3-methoxy-1-{[1-methyl-3-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidine
CID 16191202
2-[(3-Methylphenyl)methoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814128
5-benzyl-2-(phenoxymethyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 118706138
4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine
CID 118706763
2-(Phenoxymethyl)-4-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706776
2-(phenoxymethyl)-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706777
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-[(3-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706781
N-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706782
N-[(4-methoxyphenyl)methyl]-2-(phenoxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
CID 118706784

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 118706765) is 2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is c1ccc(COC2CCCn3nc(COc4ccccc4)cc32)cc1.
What is the InChIKey of 2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is GRKBJXUSSNESGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-8-17(9-4-1)15-25-21-12-7-13-23-20(21)14-18(22-23)16-24-19-10-5-2-6-11-19/h1-6,8-11,14,21H,7,12-13,15-16H2.
What are the key properties of 2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 334.42 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 118706765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).