1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one

C21H26N4O2 — CID 75259178

IUPAC1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one
SMILESCOc1ccccc1C1NNC2CCN(C(=O)CCc3ccccn3)CC21
InChIInChI=1S/C21H26N4O2/c1-27-19-8-3-2-7-16(19)21-17-14-25(13-11-18(17)23-24-21)20(26)10-9-15-6-4-5-12-22-15/h2-8,12,17-18,21,23-24H,9-11,13-14H2,1H3
InChIKeyVGIGPYISDRAKNS-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.09
Rot. Bonds5

About 1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one

1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 75259178) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID75259178
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one
SMILESCOc1ccccc1C1NNC2CCN(C(=O)CCc3ccccn3)CC21
InChIInChI=1S/C21H26N4O2/c1-27-19-8-3-2-7-16(19)21-17-14-25(13-11-18(17)23-24-21)20(26)10-9-15-6-4-5-12-22-15/h2-8,12,17-18,21,23-24H,9-11,13-14H2,1H3
InChIKeyVGIGPYISDRAKNS-UHFFFAOYSA-N
XLogP2.09
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-2-propylsulfanylethanone
CID 75258722
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
3-pyridin-2-yl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289968
3-pyridin-2-yl-1-(3-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289949
1-[3-(1,2-oxazol-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-phenoxypropan-1-one
CID 85481386
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;dihydrochloride
CID 119596760
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 56821867
1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110261325
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one (CID 75259178) is 1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one is COc1ccccc1C1NNC2CCN(C(=O)CCc3ccccn3)CC21.
What is the InChIKey of 1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is VGIGPYISDRAKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-27-19-8-3-2-7-16(19)21-17-14-25(13-11-18(17)23-24-21)20(26)10-9-15-6-4-5-12-22-15/h2-8,12,17-18,21,23-24H,9-11,13-14H2,1H3.
What are the key properties of 1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one?
1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 366.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 75259178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).