N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine

C28H33N7 — CID 166786958

IUPACN-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESCN1CCN(Cc2cc(C(Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)C3CC3)ccn2)CC1
InChIInChI=1S/C28H33N7/c1-33-9-11-35(12-10-33)19-26-14-22(7-8-29-26)28(20-3-4-20)32-27-15-24-13-21(5-6-23(24)16-30-27)25-17-31-34(2)18-25/h5-8,13-18,20,28H,3-4,9-12,19H2,1-2H3,(H,30,32)
InChIKeyOZJPZTQEHPEIMF-UHFFFAOYSA-N
MW467.62 g/mol
LogP4.34
Rot. Bonds7

About N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine

N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine (PubChem CID 166786958) has the molecular formula C28H33N7 and a molecular weight of 467.62 g/mol. Its IUPAC name is N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine.

Molecular Properties

Compound NameN-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
PubChem CID166786958
Molecular FormulaC28H33N7
Molecular Weight467.62 g/mol
Exact Mass467.28
IUPAC NameN-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
SMILESCN1CCN(Cc2cc(C(Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)C3CC3)ccn2)CC1
InChIInChI=1S/C28H33N7/c1-33-9-11-35(12-10-33)19-26-14-22(7-8-29-26)28(20-3-4-20)32-27-15-24-13-21(5-6-23(24)16-30-27)25-17-31-34(2)18-25/h5-8,13-18,20,28H,3-4,9-12,19H2,1-2H3,(H,30,32)
InChIKeyOZJPZTQEHPEIMF-UHFFFAOYSA-N
XLogP4.34
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.62
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine with MolForge

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Related Compounds

N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine;4-(methylsulfanylmethyl)-2-(pyrrolidin-1-ylmethyl)pyridine
CID 145392121
6-(1-methylpyrazol-4-yl)-N-[1-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166954965
2-[(4-methylpiperazin-1-yl)methyl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590246
6-(1-methylpyrazol-4-yl)-N-[1-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]ethenyl]isoquinolin-3-amine
CID 166955007
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408
1-(4-ethenyl-2-pyridinyl)-4-methylpiperazine;N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 145392446
2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(pyrazin-2-ylmethyl)piperidin-4-yl]ethanone
CID 147197229
N-methyl-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine;1-methyl-4-(4-prop-2-enyl-2-pyridinyl)piperazine
CID 145392531
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-[1-[[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]amino]ethenyl]piperidin-1-yl]ethanol
CID 166702386
4-(2,2-dimethylpropyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperazine-1-carboxamide
CID 135251253
N-[1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethenyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine
CID 142575205

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The IUPAC name of N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine (CID 166786958) is N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine.
What is the SMILES notation for N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The canonical SMILES for N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine is CN1CCN(Cc2cc(C(Nc3cc4cc(-c5cnn(C)c5)ccc4cn3)C3CC3)ccn2)CC1.
What is the InChIKey of N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
The InChIKey is OZJPZTQEHPEIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7/c1-33-9-11-35(12-10-33)19-26-14-22(7-8-29-26)28(20-3-4-20)32-27-15-24-13-21(5-6-23(24)16-30-27)25-17-31-34(2)18-25/h5-8,13-18,20,28H,3-4,9-12,19H2,1-2H3,(H,30,32).
What are the key properties of N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine?
N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine has a molecular weight of 467.62 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]methyl]-6-(1-methylpyrazol-4-yl)isoquinolin-3-amine is sourced from PubChem (CID 166786958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).