4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one

C20H17N5O — CID 145392220

IUPAC4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one
SMILESC=C(Nc1cc2cc(-c3cnn(C)c3)ccc2cn1)c1cc[nH]c(=O)c1
InChIInChI=1S/C20H17N5O/c1-13(14-5-6-21-20(26)9-14)24-19-8-17-7-15(3-4-16(17)10-22-19)18-11-23-25(2)12-18/h3-12H,1H2,2H3,(H,21,26)(H,22,24)
InChIKeyQUCILBDTYVXCLK-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.41
Rot. Bonds4

About 4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one

4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one (PubChem CID 145392220) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one
PubChem CID145392220
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one
SMILESC=C(Nc1cc2cc(-c3cnn(C)c3)ccc2cn1)c1cc[nH]c(=O)c1
InChIInChI=1S/C20H17N5O/c1-13(14-5-6-21-20(26)9-14)24-19-8-17-7-15(3-4-16(17)10-22-19)18-11-23-25(2)12-18/h3-12H,1H2,2H3,(H,21,26)(H,22,24)
InChIKeyQUCILBDTYVXCLK-UHFFFAOYSA-N
XLogP3.41
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 142575205
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
6-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]isoquinolin-3-amine
CID 166954628
6-(1-methylpyrazol-4-yl)-N-[(3S)-3-pyrrolidin-1-ylbut-1-en-2-yl]isoquinolin-3-amine
CID 166954289
N-[1-(1-cyclopropylpiperidin-4-yl)ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 166954586
3-(hydroxymethyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]bicyclo[1.1.0]butane-1-carboxamide
CID 166702449
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408
4-(2,2-dimethylpropyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperazine-1-carboxamide
CID 135251253
2-[4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]piperidin-1-yl]ethanol
CID 166702386
N-methyl-6-(1-methylpyrazol-4-yl)isoquinoline-3-carboxamide
CID 168926334
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-2-carbothioamide
CID 166954294
6-(1-methylpyrazol-4-yl)-N-[1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166955007

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one (CID 145392220) is 4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one is C=C(Nc1cc2cc(-c3cnn(C)c3)ccc2cn1)c1cc[nH]c(=O)c1.
What is the InChIKey of 4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one?
The InChIKey is QUCILBDTYVXCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-13(14-5-6-21-20(26)9-14)24-19-8-17-7-15(3-4-16(17)10-22-19)18-11-23-25(2)12-18/h3-12H,1H2,2H3,(H,21,26)(H,22,24).
What are the key properties of 4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one?
4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one has a molecular weight of 343.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one is sourced from PubChem (CID 145392220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).