1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone

C23H23N5O — CID 155562077

IUPAC1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2cncc(N3CCN(c4ccc5cnn(C)c5c4)CC3)c2c1
InChIInChI=1S/C23H23N5O/c1-16(29)17-3-4-18-13-24-15-23(21(18)11-17)28-9-7-27(8-10-28)20-6-5-19-14-25-26(2)22(19)12-20/h3-6,11-15H,7-10H2,1-2H3
InChIKeyAWUGYMJLMKPPCO-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.65
Rot. Bonds3

About 1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone

1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone (PubChem CID 155562077) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone
PubChem CID155562077
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2cncc(N3CCN(c4ccc5cnn(C)c5c4)CC3)c2c1
InChIInChI=1S/C23H23N5O/c1-16(29)17-3-4-18-13-24-15-23(21(18)11-17)28-9-7-27(8-10-28)20-6-5-19-14-25-26(2)22(19)12-20/h3-6,11-15H,7-10H2,1-2H3
InChIKeyAWUGYMJLMKPPCO-UHFFFAOYSA-N
XLogP3.65
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone?
The IUPAC name of 1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone (CID 155562077) is 1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone?
The canonical SMILES for 1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone is CC(=O)c1ccc2cncc(N3CCN(c4ccc5cnn(C)c5c4)CC3)c2c1.
What is the InChIKey of 1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone?
The InChIKey is AWUGYMJLMKPPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16(29)17-3-4-18-13-24-15-23(21(18)11-17)28-9-7-27(8-10-28)20-6-5-19-14-25-26(2)22(19)12-20/h3-6,11-15H,7-10H2,1-2H3.
What are the key properties of 1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone?
1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone has a molecular weight of 385.47 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinolin-6-yl]ethanone is sourced from PubChem (CID 155562077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).