1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine

C26H31N7 — CID 145392446

IUPAC1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESC=Cc1ccnc(N2CCN(C)CC2)c1.CNc1cc2cc(-c3cnn(C)c3)ccc2cn1
InChIInChI=1S/C14H14N4.C12H17N3/c1-15-14-6-12-5-10(3-4-11(12)7-16-14)13-8-17-18(2)9-13;1-3-11-4-5-13-12(10-11)15-8-6-14(2)7-9-15/h3-9H,1-2H3,(H,15,16);3-5,10H,1,6-9H2,2H3
InChIKeyBRQPUGOENFEIME-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.15
Rot. Bonds4

About 1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine

1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine (PubChem CID 145392446) has the molecular formula C26H31N7 and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound Name1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
PubChem CID145392446
Molecular FormulaC26H31N7
Molecular Weight441.58 g/mol
Exact Mass441.26
IUPAC Name1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESC=Cc1ccnc(N2CCN(C)CC2)c1.CNc1cc2cc(-c3cnn(C)c3)ccc2cn1
InChIInChI=1S/C14H14N4.C12H17N3/c1-15-14-6-12-5-10(3-4-11(12)7-16-14)13-8-17-18(2)9-13;1-3-11-4-5-13-12(10-11)15-8-6-14(2)7-9-15/h3-9H,1-2H3,(H,15,16);3-5,10H,1,6-9H2,2H3
InChIKeyBRQPUGOENFEIME-UHFFFAOYSA-N
XLogP4.15
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine;1-methyl-4-(4-prop-2-enyl-2-pyridinyl)piperazine
CID 145392531
6-[6-(diethylamino)pyrazin-2-yl]-N-methylisoquinolin-3-amine;1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine
CID 142575352
1-(4-ethenyl-2-pyridinyl)-N,N-dimethylpiperidin-4-amine;N-methyl-6-(3-methylimidazol-4-yl)isoquinolin-3-amine
CID 145392535
1-cyclopropyl-4-(4-ethenyl-2-pyridinyl)piperazine;5-[3-(methylamino)isoquinolin-6-yl]-1,3-thiazol-2-amine
CID 145392375
1-(4-ethenyl-2-pyridinyl)azetidin-3-amine;N-methyl-6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-amine
CID 145392558
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide;oxalate;platinum(4+);trans-(1R,2R)-cyclohexane-1,2-diamine
CID 172880373
ethane;4-(5-ethenyl-3H-pyrrol-2-yl)-1-propan-2-ylpiperidine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 142575206
N-[(Z)-1-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]prop-1-enyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 166787388
N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine;4-(methylsulfanylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridine
CID 145392121
5-fluoro-1H-pyrimidine-2,4-dione;2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 172880371
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)indazole
CID 118930220
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The IUPAC name of 1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine (CID 145392446) is 1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for 1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The canonical SMILES for 1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine is C=Cc1ccnc(N2CCN(C)CC2)c1.CNc1cc2cc(-c3cnn(C)c3)ccc2cn1.
What is the InChIKey of 1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The InChIKey is BRQPUGOENFEIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4.C12H17N3/c1-15-14-6-12-5-10(3-4-11(12)7-16-14)13-8-17-18(2)9-13;1-3-11-4-5-13-12(10-11)15-8-6-14(2)7-9-15/h3-9H,1-2H3,(H,15,16);3-5,10H,1,6-9H2,2H3.
What are the key properties of 1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine has a molecular weight of 441.58 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 145392446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).