1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one

C19H25N3O3 — CID 97368107

IUPAC1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one
SMILESCCOC[C@H]1CN(C(=O)CCOc2ccccc2)Cc2c1cnn2C
InChIInChI=1S/C19H25N3O3/c1-3-24-14-15-12-22(13-18-17(15)11-20-21(18)2)19(23)9-10-25-16-7-5-4-6-8-16/h4-8,11,15H,3,9-10,12-14H2,1-2H3/t15-/m1/s1
InChIKeyVUVYMCXITRYFQZ-OAHLLOKOSA-N
MW343.43 g/mol
LogP2.35
Rot. Bonds7

About 1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one

1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one (PubChem CID 97368107) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one
PubChem CID97368107
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one
SMILESCCOC[C@H]1CN(C(=O)CCOc2ccccc2)Cc2c1cnn2C
InChIInChI=1S/C19H25N3O3/c1-3-24-14-15-12-22(13-18-17(15)11-20-21(18)2)19(23)9-10-25-16-7-5-4-6-8-16/h4-8,11,15H,3,9-10,12-14H2,1-2H3/t15-/m1/s1
InChIKeyVUVYMCXITRYFQZ-OAHLLOKOSA-N
XLogP2.35
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4-chlorophenoxy)ethyl]-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,2,2-trifluoroacetic acid
CID 171694369
(E)-1-[4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 131651542
1-[4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone
CID 131662817
1-[(4S)-4-(cyclopropylmethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-methylsulfonylethanone
CID 97368146
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55965923
1-[(7R)-2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one
CID 97468203
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-3-phenoxypropan-1-one
CID 70753353
1-[(7R)-7-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-methoxyethanone
CID 97382738
4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63721709
1-[(7R)-7-[(dimethylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-phenoxypropan-1-one
CID 124818117
(E)-1-[(4R)-4-(ethoxymethyl)-1-ethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 97368115

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one (CID 97368107) is 1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one is CCOC[C@H]1CN(C(=O)CCOc2ccccc2)Cc2c1cnn2C.
What is the InChIKey of 1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one?
The InChIKey is VUVYMCXITRYFQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-24-14-15-12-22(13-18-17(15)11-20-21(18)2)19(23)9-10-25-16-7-5-4-6-8-16/h4-8,11,15H,3,9-10,12-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one?
1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 97368107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).