4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline

C21H21N5 — CID 155524325

IUPAC4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline
SMILESCn1ncc2ccc(N3CCN(c4cncc5ccccc45)CC3)cc21
InChIInChI=1S/C21H21N5/c1-24-20-12-18(7-6-17(20)14-23-24)25-8-10-26(11-9-25)21-15-22-13-16-4-2-3-5-19(16)21/h2-7,12-15H,8-11H2,1H3
InChIKeyRESKVYRMFBGCMT-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.45
Rot. Bonds2

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

4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline (PubChem CID 155524325) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline.

Molecular Properties

Compound Name4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline
PubChem CID155524325
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline
SMILESCn1ncc2ccc(N3CCN(c4cncc5ccccc45)CC3)cc21
InChIInChI=1S/C21H21N5/c1-24-20-12-18(7-6-17(20)14-23-24)25-8-10-26(11-9-25)21-15-22-13-16-4-2-3-5-19(16)21/h2-7,12-15H,8-11H2,1H3
InChIKeyRESKVYRMFBGCMT-UHFFFAOYSA-N
XLogP3.45
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline?
The IUPAC name of 4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline (CID 155524325) is 4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline.
What is the SMILES notation for 4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline?
The canonical SMILES for 4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline is Cn1ncc2ccc(N3CCN(c4cncc5ccccc45)CC3)cc21.
What is the InChIKey of 4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline?
The InChIKey is RESKVYRMFBGCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-24-20-12-18(7-6-17(20)14-23-24)25-8-10-26(11-9-25)21-15-22-13-16-4-2-3-5-19(16)21/h2-7,12-15H,8-11H2,1H3.
What are the key properties of 4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline?
4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline has a molecular weight of 343.43 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline is sourced from PubChem (CID 155524325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).