1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

C26H32FN7O2 — CID 55841955

IUPAC1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC(C(=O)NCCc3ccccc3F)CC2)n1
InChIInChI=1S/C26H32FN7O2/c1-17-14-18(2)30-26(29-17)34-23(15-19(3)32-34)31-24(35)16-33-12-9-21(10-13-33)25(36)28-11-8-20-6-4-5-7-22(20)27/h4-7,14-15,21H,8-13,16H2,1-3H3,(H,28,36)(H,31,35)
InChIKeyMCQKLDJRIKBILD-UHFFFAOYSA-N
MW493.59 g/mol
LogP2.74
Rot. Bonds8

About 1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide

1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55841955) has the molecular formula C26H32FN7O2 and a molecular weight of 493.59 g/mol. Its IUPAC name is 1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID55841955
Molecular FormulaC26H32FN7O2
Molecular Weight493.59 g/mol
Exact Mass493.26
IUPAC Name1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC(C(=O)NCCc3ccccc3F)CC2)n1
InChIInChI=1S/C26H32FN7O2/c1-17-14-18(2)30-26(29-17)34-23(15-19(3)32-34)31-24(35)16-33-12-9-21(10-13-33)25(36)28-11-8-20-6-4-5-7-22(20)27/h4-7,14-15,21H,8-13,16H2,1-3H3,(H,28,36)(H,31,35)
InChIKeyMCQKLDJRIKBILD-UHFFFAOYSA-N
XLogP2.74
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.59
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-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

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 650826
1-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55738816
N-[2-(2-fluorophenyl)ethyl]-1-[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl]piperidine-4-carboxamide
CID 55842848
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 3-(2-fluorophenyl)propanoate
CID 55368214
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 39709187
N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55842278
1-[2-[(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55738942
N-[2-(2-fluorophenyl)ethyl]-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 55738783
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 47707011
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 47039591
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetamide
CID 37141496

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 55841955) is 1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC(C(=O)NCCc3ccccc3F)CC2)n1.
What is the InChIKey of 1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is MCQKLDJRIKBILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN7O2/c1-17-14-18(2)30-26(29-17)34-23(15-19(3)32-34)31-24(35)16-33-12-9-21(10-13-33)25(36)28-11-8-20-6-4-5-7-22(20)27/h4-7,14-15,21H,8-13,16H2,1-3H3,(H,28,36)(H,31,35).
What are the key properties of 1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 493.59 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55841955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).