N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide

C24H36FN5O2 — CID 46078980

IUPACN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
SMILESCCN1CCN(c2c(CN(CC(C)C)C(=O)COC)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C24H36FN5O2/c1-6-27-10-12-28(13-11-27)24-22(16-29(15-18(2)3)23(31)17-32-5)19(4)26-30(24)21-9-7-8-20(25)14-21/h7-9,14,18H,6,10-13,15-17H2,1-5H3
InChIKeyXGEDCFGWICEPHF-UHFFFAOYSA-N
MW445.58 g/mol
LogP3.09
Rot. Bonds9

About N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide

N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide (PubChem CID 46078980) has the molecular formula C24H36FN5O2 and a molecular weight of 445.58 g/mol. Its IUPAC name is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
PubChem CID46078980
Molecular FormulaC24H36FN5O2
Molecular Weight445.58 g/mol
Exact Mass445.29
IUPAC NameN-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide
SMILESCCN1CCN(c2c(CN(CC(C)C)C(=O)COC)c(C)nn2-c2cccc(F)c2)CC1
InChIInChI=1S/C24H36FN5O2/c1-6-27-10-12-28(13-11-27)24-22(16-29(15-18(2)3)23(31)17-32-5)19(4)26-30(24)21-9-7-8-20(25)14-21/h7-9,14,18H,6,10-13,15-17H2,1-5H3
InChIKeyXGEDCFGWICEPHF-UHFFFAOYSA-N
XLogP3.09
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.58
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide 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

7-[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
CID 16026241
7-Ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxidanylidene-propyl]-3,4-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridin-6-one
CID 20961279
3-(7-ethyl-3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 20961284
3,4,7-Trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 20961546
3-Methyl-5-[(2-morpholin-4-yl-ethylamino)-methyl]-1-phenyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135450601
N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-2-morpholinoacetamide
CID 2816322
Ethyl 2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetate
CID 16027346
7-[2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,4-trimethylpyrazolo[5,4-b]pyridin-6-one
CID 16026245
N-benzyl-N-ethyl-2-[1-(3-fluorophenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 16026407
7-Ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
CID 20961290
1-(3-Fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one
CID 20961610
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 22575787

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide (CID 46078980) is N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide is CCN1CCN(c2c(CN(CC(C)C)C(=O)COC)c(C)nn2-c2cccc(F)c2)CC1.
What is the InChIKey of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
The InChIKey is XGEDCFGWICEPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN5O2/c1-6-27-10-12-28(13-11-27)24-22(16-29(15-18(2)3)23(31)17-32-5)19(4)26-30(24)21-9-7-8-20(25)14-21/h7-9,14,18H,6,10-13,15-17H2,1-5H3.
What are the key properties of N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide?
N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide has a molecular weight of 445.58 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-methoxy-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 46078980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).