ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate

C26H26N6O4 — CID 108747160

IUPACethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1NC(=O)c1ccnc(NC(C)=O)c1
InChIInChI=1S/C26H26N6O4/c1-6-36-26(35)20-13-28-32(22-11-15(3)19-10-14(2)9-16(4)23(19)30-22)24(20)31-25(34)18-7-8-27-21(12-18)29-17(5)33/h7-13H,6H2,1-5H3,(H,31,34)(H,27,29,33)
InChIKeyCWYPLMWOPIDCAK-UHFFFAOYSA-N
MW486.53 g/mol
LogP4.13
Rot. Bonds6

About ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate

ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate (PubChem CID 108747160) has the molecular formula C26H26N6O4 and a molecular weight of 486.53 g/mol. Its IUPAC name is ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
PubChem CID108747160
Molecular FormulaC26H26N6O4
Molecular Weight486.53 g/mol
Exact Mass486.20
IUPAC Nameethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1NC(=O)c1ccnc(NC(C)=O)c1
InChIInChI=1S/C26H26N6O4/c1-6-36-26(35)20-13-28-32(22-11-15(3)19-10-14(2)9-16(4)23(19)30-22)24(20)31-25(34)18-7-8-27-21(12-18)29-17(5)33/h7-13H,6H2,1-5H3,(H,31,34)(H,27,29,33)
InChIKeyCWYPLMWOPIDCAK-UHFFFAOYSA-N
XLogP4.13
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 5-(ethoxycarbonylamino)-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747141
ethyl 5-[(2,5-difluorobenzoyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747167
ethyl 5-[(2-methoxyacetyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747156
ethyl 5-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747152
ethyl 5-[(3-chloroquinoxalin-2-yl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108779092
ethyl 5-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108779078
ethyl 5-[(6-ethyl-1,3-benzothiazol-2-yl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108779076
ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate
CID 108798001
ethyl 5-(2-bromopropanoylamino)-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769166
ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-naphthalen-1-ylacetyl)amino]pyrazole-4-carboxylate
CID 108747051
ethyl 5-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769614
ethyl 5-(methoxycarbonylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747535

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate (CID 108747160) is ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1NC(=O)c1ccnc(NC(C)=O)c1.
What is the InChIKey of ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate?
The InChIKey is CWYPLMWOPIDCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O4/c1-6-36-26(35)20-13-28-32(22-11-15(3)19-10-14(2)9-16(4)23(19)30-22)24(20)31-25(34)18-7-8-27-21(12-18)29-17(5)33/h7-13H,6H2,1-5H3,(H,31,34)(H,27,29,33).
What are the key properties of ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate?
ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate has a molecular weight of 486.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-acetamidopyridine-4-carbonyl)amino]-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylate is sourced from PubChem (CID 108747160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).