N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

C25H36N4O3 — CID 122169947

IUPACN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2ccc(OC)cc2)nn1C
InChIInChI=1S/C25H36N4O3/c1-27-24(17-22(26-27)19-9-11-21(32-3)12-10-19)25(30)29(15-16-31-2)18-20-7-6-14-28-13-5-4-8-23(20)28/h9-12,17,20,23H,4-8,13-16,18H2,1-3H3/t20-,23+/m0/s1
InChIKeyGQTSVSHGRBUGKK-NZQKXSOJSA-N
MW440.59 g/mol
LogP3.45
Rot. Bonds8

About N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide

N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 122169947) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
PubChem CID122169947
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC NameN-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide
SMILESCOCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2ccc(OC)cc2)nn1C
InChIInChI=1S/C25H36N4O3/c1-27-24(17-22(26-27)19-9-11-21(32-3)12-10-19)25(30)29(15-16-31-2)18-20-7-6-14-28-13-5-4-8-23(20)28/h9-12,17,20,23H,4-8,13-16,18H2,1-3H3/t20-,23+/m0/s1
InChIKeyGQTSVSHGRBUGKK-NZQKXSOJSA-N
XLogP3.45
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide 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

N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 126418110
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 126417368
N-[[(1S)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(4-bromophenyl)-1-methylpyrazole-5-carboxamide
CID 122714860
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(4-bromophenyl)-1-methylpyrazole-5-carboxamide
CID 123132625
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-thiophen-3-yl-1H-pyrazole-5-carboxamide
CID 126417414
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(furan-2-yl)-N-(2-methoxyethyl)-1H-pyrazole-3-carboxamide
CID 126418394
(3R)-N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 125122854
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 125428031
1-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxyethyl)urea
CID 125430373
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(3-methoxypropyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 122169820
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(2-chlorophenyl)-N-(2-methoxyethyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 125430390
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(3-methoxypropyl)-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 126418259

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide (CID 122169947) is N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is COCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)c1cc(-c2ccc(OC)cc2)nn1C.
What is the InChIKey of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is GQTSVSHGRBUGKK-NZQKXSOJSA-N. The full InChI is InChI=1S/C25H36N4O3/c1-27-24(17-22(26-27)19-9-11-21(32-3)12-10-19)25(30)29(15-16-31-2)18-20-7-6-14-28-13-5-4-8-23(20)28/h9-12,17,20,23H,4-8,13-16,18H2,1-3H3/t20-,23+/m0/s1.
What are the key properties of N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide?
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 122169947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).