ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate

C27H26N6O4 — CID 108801056

IUPACethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c3cccc(C)c3n2)c1NC(=O)C1(C)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C27H26N6O4/c1-5-37-25(35)19-15-28-33(21-13-17(3)18-10-8-9-16(2)23(18)30-21)24(19)31-26(36)27(4)14-22(34)29-20-11-6-7-12-32(20)27/h6-13,15H,5,14H2,1-4H3,(H,31,36)
InChIKeyQXSVNHONVUTTLW-UHFFFAOYSA-N
MW498.54 g/mol
LogP3.63
Rot. Bonds5

About ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate

ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate (PubChem CID 108801056) has the molecular formula C27H26N6O4 and a molecular weight of 498.54 g/mol. Its IUPAC name is ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate
PubChem CID108801056
Molecular FormulaC27H26N6O4
Molecular Weight498.54 g/mol
Exact Mass498.20
IUPAC Nameethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cc(C)c3cccc(C)c3n2)c1NC(=O)C1(C)CC(=O)N=C2C=CC=CN21
InChIInChI=1S/C27H26N6O4/c1-5-37-25(35)19-15-28-33(21-13-17(3)18-10-8-9-16(2)23(18)30-21)24(19)31-26(36)27(4)14-22(34)29-20-11-6-7-12-32(20)27/h6-13,15H,5,14H2,1-4H3,(H,31,36)
InChIKeyQXSVNHONVUTTLW-UHFFFAOYSA-N
XLogP3.63
TPSA118.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate with MolForge

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Related Compounds

N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108801057
4-[4-(4,8-dimethylquinolin-2-yl)piperazine-1-carbonyl]-4-methyl-3H-pyrido[1,2-a]pyrimidin-2-one
CID 108810310
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 3-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]benzoate
CID 108800911
ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]pyrazole-4-carboxylate
CID 108798001
4-methyl-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800928
ethyl 5-[[(E)-but-2-enoyl]amino]-1-(8-methoxy-4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769033
ethyl 5-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108769179
ethyl 5-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747056
ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]pyrazole-4-carboxylate
CID 108747026
ethyl 5-(methoxycarbonylamino)-1-(4-methylquinolin-2-yl)pyrazole-4-carboxylate
CID 108747535

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate (CID 108801056) is ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cc(C)c3cccc(C)c3n2)c1NC(=O)C1(C)CC(=O)N=C2C=CC=CN21.
What is the InChIKey of ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate?
The InChIKey is QXSVNHONVUTTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O4/c1-5-37-25(35)19-15-28-33(21-13-17(3)18-10-8-9-16(2)23(18)30-21)24(19)31-26(36)27(4)14-22(34)29-20-11-6-7-12-32(20)27/h6-13,15H,5,14H2,1-4H3,(H,31,36).
What are the key properties of ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate?
ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate has a molecular weight of 498.54 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4,8-dimethylquinolin-2-yl)-5-[(4-methyl-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carbonyl)amino]pyrazole-4-carboxylate is sourced from PubChem (CID 108801056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).