3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

C25H30N6O3 — CID 175169539

IUPAC3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCn1cc(N2CCc3c(cccc3-c3nn(C4CCOCC4)c4c3CN(C(=O)O)CC4)C2)cn1
InChIInChI=1S/C25H30N6O3/c1-28-15-19(13-26-28)29-9-5-20-17(14-29)3-2-4-21(20)24-22-16-30(25(32)33)10-6-23(22)31(27-24)18-7-11-34-12-8-18/h2-4,13,15,18H,5-12,14,16H2,1H3,(H,32,33)
InChIKeyIOWQTUNLCBOBKY-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.23
Rot. Bonds3

About 3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid

3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 175169539) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID175169539
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCn1cc(N2CCc3c(cccc3-c3nn(C4CCOCC4)c4c3CN(C(=O)O)CC4)C2)cn1
InChIInChI=1S/C25H30N6O3/c1-28-15-19(13-26-28)29-9-5-20-17(14-29)3-2-4-21(20)24-22-16-30(25(32)33)10-6-23(22)31(27-24)18-7-11-34-12-8-18/h2-4,13,15,18H,5-12,14,16H2,1H3,(H,32,33)
InChIKeyIOWQTUNLCBOBKY-UHFFFAOYSA-N
XLogP3.23
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid with MolForge

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Related Compounds

1-[3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 158510140
1-[3-[2-(1-methylpyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepin-6-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]propan-1-one
CID 162022538
ethane;1-[3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176986022
1-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-2-pyridinyl]ethanone
CID 177169764
1-[1-(oxan-4-yl)-3-[2-(6-propan-2-yl-3-pyridinyl)quinazolin-5-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 177123026
1-[1-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]pyrrolidin-3-yl]ethanone;ethane
CID 145409335
5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(dimethylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1,5-dimethylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2H-isoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-[6-(methylamino)-3-pyridinyl]-1,4-dihydroisoquinolin-3-one;5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one
CID 159474807
3-[7-[(Z)-hydroxyiminomethyl]-4-methyl-6-(1-methylpyrazol-4-yl)-2,3-dihydroquinoxalin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121365399
6-[4-[4-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]but-3-ynyl]piperidin-1-yl]pyridazine-3-carboxylic acid
CID 176986157
2-[[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-2-pyridinyl]oxymethyl]pyrimidine-5-carboxylic acid
CID 177123085
6-[4-[2-[5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-2-pyridinyl]ethyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 176986167
1-[3-[7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 139385813

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of 3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 175169539) is 3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for 3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for 3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is Cn1cc(N2CCc3c(cccc3-c3nn(C4CCOCC4)c4c3CN(C(=O)O)CC4)C2)cn1.
What is the InChIKey of 3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is IOWQTUNLCBOBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-28-15-19(13-26-28)29-9-5-20-17(14-29)3-2-4-21(20)24-22-16-30(25(32)33)10-6-23(22)31(27-24)18-7-11-34-12-8-18/h2-4,13,15,18H,5-12,14,16H2,1H3,(H,32,33).
What are the key properties of 3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid?
3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 462.55 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 175169539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).