N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine

C26H34N6 — CID 142575426

IUPACN-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine
SMILESCN1CCN(CC2CCC(CNc3cc4cc(-c5cccnn5)ccc4cn3)CC2)CC1
InChIInChI=1S/C26H34N6/c1-31-11-13-32(14-12-31)19-21-6-4-20(5-7-21)17-27-26-16-24-15-22(8-9-23(24)18-28-26)25-3-2-10-29-30-25/h2-3,8-10,15-16,18,20-21H,4-7,11-14,17,19H2,1H3,(H,27,28)
InChIKeyQBCCNNUXKDJONZ-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.16
Rot. Bonds6

About N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine

N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine (PubChem CID 142575426) has the molecular formula C26H34N6 and a molecular weight of 430.60 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine
PubChem CID142575426
Molecular FormulaC26H34N6
Molecular Weight430.60 g/mol
Exact Mass430.28
IUPAC NameN-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine
SMILESCN1CCN(CC2CCC(CNc3cc4cc(-c5cccnn5)ccc4cn3)CC2)CC1
InChIInChI=1S/C26H34N6/c1-31-11-13-32(14-12-31)19-21-6-4-20(5-7-21)17-27-26-16-24-15-22(8-9-23(24)18-28-26)25-3-2-10-29-30-25/h2-3,8-10,15-16,18,20-21H,4-7,11-14,17,19H2,1H3,(H,27,28)
InChIKeyQBCCNNUXKDJONZ-UHFFFAOYSA-N
XLogP4.16
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine with MolForge

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Related Compounds

4-(morpholin-4-ylmethyl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclohexane-1-carboxamide
CID 138606041
4-(4-methylpiperazin-1-yl)-N-(6-pyridazin-3-ylisoquinolin-3-yl)piperidine-1-carboxamide
CID 138606080
1-[4-(morpholin-4-ylmethyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147432485
2-morpholin-4-yl-N-(6-pyridazin-3-ylisoquinolin-3-yl)acetamide
CID 138586345
1-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-2-(6-pyridazin-3-ylisoquinolin-3-yl)ethanone
CID 147027857
N-(2,2-difluoroethyl)-1-ethenylpiperidin-4-amine;N-methyl-6-pyridazin-3-ylisoquinolin-3-amine
CID 142575300
N-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]isoquinolin-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]cyclohexane-1-carboxamide
CID 166702429
3-(2,2-difluoroethylamino)-N-(6-pyridazin-3-ylisoquinolin-3-yl)cyclobutane-1-carboxamide
CID 138606088
N-[[4-(2,2-difluoroethylamino)cyclohexyl]methyl]-6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-amine
CID 138580127
2-[3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-4-naphthalen-2-ylpyrimidine
CID 68729602
1-(1-methylpiperidin-4-yl)-3-(6-pyrazin-2-ylisoquinolin-3-yl)urea
CID 138606157
N-[[4-(2,2-difluoroethylamino)cyclohexyl]methyl]-6-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinolin-3-amine
CID 138580286

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine?
The IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine (CID 142575426) is N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine.
What is the SMILES notation for N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine?
The canonical SMILES for N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine is CN1CCN(CC2CCC(CNc3cc4cc(-c5cccnn5)ccc4cn3)CC2)CC1.
What is the InChIKey of N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine?
The InChIKey is QBCCNNUXKDJONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6/c1-31-11-13-32(14-12-31)19-21-6-4-20(5-7-21)17-27-26-16-24-15-22(8-9-23(24)18-28-26)25-3-2-10-29-30-25/h2-3,8-10,15-16,18,20-21H,4-7,11-14,17,19H2,1H3,(H,27,28).
What are the key properties of N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine?
N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine has a molecular weight of 430.60 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]methyl]-6-pyridazin-3-ylisoquinolin-3-amine is sourced from PubChem (CID 142575426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).