N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine

C24H27N7 — CID 142575205

IUPACN-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESC=C(Nc1cc2cc(-c3cnn(C)c3)ccc2cn1)c1cnn(C2CCN(C)CC2)c1
InChIInChI=1S/C24H27N7/c1-17(21-13-27-31(16-21)23-6-8-29(2)9-7-23)28-24-11-20-10-18(4-5-19(20)12-25-24)22-14-26-30(3)15-22/h4-5,10-16,23H,1,6-9H2,2-3H3,(H,25,28)
InChIKeyOMCGQKGXBNWIMG-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.18
Rot. Bonds5

About N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine

N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine (PubChem CID 142575205) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
PubChem CID142575205
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC NameN-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESC=C(Nc1cc2cc(-c3cnn(C)c3)ccc2cn1)c1cnn(C2CCN(C)CC2)c1
InChIInChI=1S/C24H27N7/c1-17(21-13-27-31(16-21)23-6-8-29(2)9-7-23)28-24-11-20-10-18(4-5-19(20)12-25-24)22-14-26-30(3)15-22/h4-5,10-16,23H,1,6-9H2,2-3H3,(H,25,28)
InChIKeyOMCGQKGXBNWIMG-UHFFFAOYSA-N
XLogP4.18
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[6-[1-(methylamino)ethenyl]-3-pyridinyl]ethenyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]isoquinolin-3-amine
CID 166786946
1-(1-ethylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrazole-4-carboxamide
CID 138585703
N-[1-(1-cyclopropylpiperidin-4-yl)ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 166954586
4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]-1H-pyridin-2-one
CID 145392220
6-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrrolidin-2-yl)ethenyl]isoquinolin-3-amine
CID 166954628
4-methyl-1-(1-methylpiperidin-4-yl)sulfonyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrole-3-carboxamide
CID 170563373
6-(1-cyclopropylpyrazol-4-yl)-N-methylisoquinolin-3-amine
CID 145392399
2-[4-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]piperidin-1-yl]ethanol
CID 166702386
2-(1-methylpiperidin-4-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-oxazole-5-carboxamide
CID 146617128
6-(1-methylpyrazol-4-yl)-N-[(3S)-3-pyrrolidin-1-ylbut-1-en-2-yl]isoquinolin-3-amine
CID 166954289
6-(1-methylpyrazol-4-yl)-N-[1-[1-(3-pyrrolidin-1-ylprop-1-en-2-yl)piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166954852
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The IUPAC name of N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine (CID 142575205) is N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The canonical SMILES for N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine is C=C(Nc1cc2cc(-c3cnn(C)c3)ccc2cn1)c1cnn(C2CCN(C)CC2)c1.
What is the InChIKey of N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The InChIKey is OMCGQKGXBNWIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7/c1-17(21-13-27-31(16-21)23-6-8-29(2)9-7-23)28-24-11-20-10-18(4-5-19(20)12-25-24)22-14-26-30(3)15-22/h4-5,10-16,23H,1,6-9H2,2-3H3,(H,25,28).
What are the key properties of N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine has a molecular weight of 413.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 142575205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).