ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate

C26H27N5O2 — CID 170959416

IUPACethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CN(CCNc1nccc3ccc(-c4cnn(C)c4)cc13)C2
InChIInChI=1S/C26H27N5O2/c1-3-33-26(32)20-6-7-21-16-31(17-22(21)12-20)11-10-28-25-24-13-19(23-14-29-30(2)15-23)5-4-18(24)8-9-27-25/h4-9,12-15H,3,10-11,16-17H2,1-2H3,(H,27,28)
InChIKeyHPFQZIOWYDZZLV-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.24
Rot. Bonds7

About ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate

ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate (PubChem CID 170959416) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate
PubChem CID170959416
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Nameethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)CN(CCNc1nccc3ccc(-c4cnn(C)c4)cc13)C2
InChIInChI=1S/C26H27N5O2/c1-3-33-26(32)20-6-7-21-16-31(17-22(21)12-20)11-10-28-25-24-13-19(23-14-29-30(2)15-23)5-4-18(24)8-9-27-25/h4-9,12-15H,3,10-11,16-17H2,1-2H3,(H,27,28)
InChIKeyHPFQZIOWYDZZLV-UHFFFAOYSA-N
XLogP4.24
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate with MolForge

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Related Compounds

ethyl 6-[2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]ethyl]-5-oxo-7,8-dihydro-1,6-naphthyridine-3-carboxylate
CID 170959389
ethyl 6-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]pyridine-3-carboxylate
CID 133411663
4-N-butyl-6-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
CID 71041843
ethyl 2-methyl-6-[2-[[7-(5-methyl-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl]amino]ethyl]-5-oxo-7,8-dihydro-1,6-naphthyridine-3-carboxylate
CID 170959495
ethyl 4-amino-3-[2-(1-methylpyrazol-4-yl)ethylamino]benzoate
CID 82778103
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
ethyl 7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 130229964
ethyl 3-[[2-[(1-methylpyrazole-4-carbonyl)amino]-4-pyridinyl]oxy]benzoate
CID 176905513
ethyl 2-(1-methylpyrazol-4-yl)-4-propylpyrimidine-5-carboxylate
CID 102972665
ethyl 3-[[5-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]benzoate
CID 19153422
ethyl 4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 29204718
ethyl 3-bromo-4-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43623829

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate?
The IUPAC name of ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate (CID 170959416) is ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate.
What is the SMILES notation for ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate?
The canonical SMILES for ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate is CCOC(=O)c1ccc2c(c1)CN(CCNc1nccc3ccc(-c4cnn(C)c4)cc13)C2.
What is the InChIKey of ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate?
The InChIKey is HPFQZIOWYDZZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-3-33-26(32)20-6-7-21-16-31(17-22(21)12-20)11-10-28-25-24-13-19(23-14-29-30(2)15-23)5-4-18(24)8-9-27-25/h4-9,12-15H,3,10-11,16-17H2,1-2H3,(H,27,28).
What are the key properties of ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate?
ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate has a molecular weight of 441.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[7-(1-methylpyrazol-4-yl)isoquinolin-1-yl]amino]ethyl]-1,3-dihydroisoindole-5-carboxylate is sourced from PubChem (CID 170959416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).