ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C29H23N7O3 — CID 19518470

IUPACethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4cc(-c5cnn(C)c5)nc5ccccc45)c3)ccnc12
InChIInChI=1S/C29H23N7O3/c1-3-39-29(38)23-16-32-36-26(11-12-30-27(23)36)18-7-6-8-20(13-18)33-28(37)22-14-25(19-15-31-35(2)17-19)34-24-10-5-4-9-21(22)24/h4-17H,3H2,1-2H3,(H,33,37)
InChIKeyLZXRVALZKLEXNH-UHFFFAOYSA-N
MW517.55 g/mol
LogP4.77
Rot. Bonds6

About ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 19518470) has the molecular formula C29H23N7O3 and a molecular weight of 517.55 g/mol. Its IUPAC name is ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID19518470
Molecular FormulaC29H23N7O3
Molecular Weight517.55 g/mol
Exact Mass517.19
IUPAC Nameethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4cc(-c5cnn(C)c5)nc5ccccc45)c3)ccnc12
InChIInChI=1S/C29H23N7O3/c1-3-39-29(38)23-16-32-36-26(11-12-30-27(23)36)18-7-6-8-20(13-18)33-28(37)22-14-25(19-15-31-35(2)17-19)34-24-10-5-4-9-21(22)24/h4-17H,3H2,1-2H3,(H,33,37)
InChIKeyLZXRVALZKLEXNH-UHFFFAOYSA-N
XLogP4.77
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 7-[3-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19474427
ethyl 7-[3-[(1,5-dimethylpyrazole-3-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19279789
ethyl 7-[3-[(4-chlorobenzoyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 24969392
ethyl 7-[3-[[7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19416569
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
ethyl 7-[3-[(1,3-dimethyl-4-nitropyrazole-5-carbonyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19480841
ethyl 7-[3-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19554027
dimethyl (E)-2-[3-(3-ethoxycarbonylpyrazolo[1,5-a]pyrimidin-7-yl)anilino]but-2-enedioate
CID 168568057
ethyl 7-[3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19276353
ethyl 7-[3-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19416130
ethyl 7-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19563727
ethyl 7-[3-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 19514355

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 19518470) is ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(-c3cccc(NC(=O)c4cc(-c5cnn(C)c5)nc5ccccc45)c3)ccnc12.
What is the InChIKey of ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is LZXRVALZKLEXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N7O3/c1-3-39-29(38)23-16-32-36-26(11-12-30-27(23)36)18-7-6-8-20(13-18)33-28(37)22-14-25(19-15-31-35(2)17-19)34-24-10-5-4-9-21(22)24/h4-17H,3H2,1-2H3,(H,33,37).
What are the key properties of ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 517.55 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[3-[[2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 19518470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).