2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone

C30H35N7O2 — CID 152819762

IUPAC2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
SMILESCN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)cn2)CC1
InChIInChI=1S/C30H35N7O2/c1-34-7-9-37(10-8-34)30-6-5-24(19-32-30)29(38)17-26-16-25-15-22(3-4-23(25)18-31-26)27-20-33-35(2)28(27)21-36-11-13-39-14-12-36/h3-6,15-16,18-20H,7-14,17,21H2,1-2H3
InChIKeySTHFIIRHQLVOOK-UHFFFAOYSA-N
MW525.66 g/mol
LogP3.04
Rot. Bonds7

About 2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone

2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone (PubChem CID 152819762) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is 2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
PubChem CID152819762
Molecular FormulaC30H35N7O2
Molecular Weight525.66 g/mol
Exact Mass525.29
IUPAC Name2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
SMILESCN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)cn2)CC1
InChIInChI=1S/C30H35N7O2/c1-34-7-9-37(10-8-34)30-6-5-24(19-32-30)29(38)17-26-16-25-15-22(3-4-23(25)18-31-26)27-20-33-35(2)28(27)21-36-11-13-39-14-12-36/h3-6,15-16,18-20H,7-14,17,21H2,1-2H3
InChIKeySTHFIIRHQLVOOK-UHFFFAOYSA-N
XLogP3.04
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.66
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 153123482
2-[6-(5-amino-1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 147259200
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)-2,7-naphthyridin-3-yl]ethanone
CID 147119054
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 147043069
2-[6-(1-ethylpyrazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 157291499
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 149080045
2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 153226798
2-[2-[5-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-1,6-naphthyridin-7-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 159920114
1-[4-fluoro-1-(2-fluoroethyl)piperidin-4-yl]-2-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]ethanone
CID 152803539
2-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 147886278
2-bromo-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 86665640
4-methyl-N-[6-[1-methyl-5-(piperidin-1-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]benzamide
CID 157330399

Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone (CID 152819762) is 2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone is CN1CCN(c2ccc(C(=O)Cc3cc4cc(-c5cnn(C)c5CN5CCOCC5)ccc4cn3)cn2)CC1.
What is the InChIKey of 2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is STHFIIRHQLVOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-34-7-9-37(10-8-34)30-6-5-24(19-32-30)29(38)17-26-16-25-15-22(3-4-23(25)18-31-26)27-20-33-35(2)28(27)21-36-11-13-39-14-12-36/h3-6,15-16,18-20H,7-14,17,21H2,1-2H3.
What are the key properties of 2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone?
2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 525.66 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]isoquinolin-3-yl]-1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 152819762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).