1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

C23H28N6O — CID 145092196

IUPAC1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC[C@H]1CCN(c2n[nH]c3c2CN(C(C)=O)CC3)c2ccc(-c3cnn(C)c3)cc21
InChIInChI=1S/C23H28N6O/c1-4-16-7-10-29(23-20-14-28(15(2)30)9-8-21(20)25-26-23)22-6-5-17(11-19(16)22)18-12-24-27(3)13-18/h5-6,11-13,16H,4,7-10,14H2,1-3H3,(H,25,26)/t16-/m0/s1
InChIKeyVJCFDRWZQCLPSR-INIZCTEOSA-N
MW404.52 g/mol
LogP3.75
Rot. Bonds3

About 1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 145092196) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID145092196
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC[C@H]1CCN(c2n[nH]c3c2CN(C(C)=O)CC3)c2ccc(-c3cnn(C)c3)cc21
InChIInChI=1S/C23H28N6O/c1-4-16-7-10-29(23-20-14-28(15(2)30)9-8-21(20)25-26-23)22-6-5-17(11-19(16)22)18-12-24-27(3)13-18/h5-6,11-13,16H,4,7-10,14H2,1-3H3,(H,25,26)/t16-/m0/s1
InChIKeyVJCFDRWZQCLPSR-INIZCTEOSA-N
XLogP3.75
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoxalin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane
CID 145091927
1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372953
1-[3-[7-chloro-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372764
1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176983169
1-[3-[5-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372946
2-[(3S)-1-[5-acetyl-1-(oxetan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-3-yl]acetonitrile
CID 121373574
1-[1-methyl-3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372664
3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 139398865
1-[3-[5-(1-methylpyrazol-4-yl)-1H-indol-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 164754011
1-[3-[4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[(3R)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121376879
1-[1-ethyl-3-[5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 176986088
1-[3-[N-ethyl-4-(1-methylpyrazol-4-yl)anilino]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-propan-2-yloxolane
CID 145092323

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 145092196) is 1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is CC[C@H]1CCN(c2n[nH]c3c2CN(C(C)=O)CC3)c2ccc(-c3cnn(C)c3)cc21.
What is the InChIKey of 1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is VJCFDRWZQCLPSR-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28N6O/c1-4-16-7-10-29(23-20-14-28(15(2)30)9-8-21(20)25-26-23)22-6-5-17(11-19(16)22)18-12-24-27(3)13-18/h5-6,11-13,16H,4,7-10,14H2,1-3H3,(H,25,26)/t16-/m0/s1.
What are the key properties of 1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 404.52 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 145092196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).