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

C23H26N2O2 — CID 118706766

IUPAC5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine
SMILESCC1(C)CCn2nc(COc3ccccc3)cc2C1OCc1ccccc1
InChIInChI=1S/C23H26N2O2/c1-23(2)13-14-25-21(22(23)27-16-18-9-5-3-6-10-18)15-19(24-25)17-26-20-11-7-4-8-12-20/h3-12,15,22H,13-14,16-17H2,1-2H3
InChIKeyBMBVKAHOATXQPS-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.15
Rot. Bonds6

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

5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine (PubChem CID 118706766) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine
PubChem CID118706766
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine
SMILESCC1(C)CCn2nc(COc3ccccc3)cc2C1OCc1ccccc1
InChIInChI=1S/C23H26N2O2/c1-23(2)13-14-25-21(22(23)27-16-18-9-5-3-6-10-18)15-19(24-25)17-26-20-11-7-4-8-12-20/h3-12,15,22H,13-14,16-17H2,1-2H3
InChIKeyBMBVKAHOATXQPS-UHFFFAOYSA-N
XLogP5.15
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

Methyl 2-[3-[3-(3,3-dimethylbutoxy)phenyl]indazol-1-yl]acetate
CID 73507127
8-[(2,5-dimethylpyrazol-3-yl)methoxy]-5-ethyl-4-methyl-6H-phenanthridine
CID 145989155
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
5,5-Dimethyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
CID 118706757
5-(4-Fluorophenyl)-5-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyridin-4-one
CID 118706760
4-methoxy-5,5-dimethyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine
CID 118706763
2-(Phenoxymethyl)-4-phenylmethoxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 118706765
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

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
The IUPAC name of 5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine (CID 118706766) is 5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine is CC1(C)CCn2nc(COc3ccccc3)cc2C1OCc1ccccc1.
What is the InChIKey of 5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
The InChIKey is BMBVKAHOATXQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-23(2)13-14-25-21(22(23)27-16-18-9-5-3-6-10-18)15-19(24-25)17-26-20-11-7-4-8-12-20/h3-12,15,22H,13-14,16-17H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine has a molecular weight of 362.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(phenoxymethyl)-4-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 118706766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).