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

Name: 4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₂₁N₅ — CID 155524325

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline
PubChem CID	155524325
Molecular Formula	C₂₁H₂₁N₅
Molecular Weight	343.43 g/mol
Exact Mass	343.18
IUPAC Name	4-[4-(1-methylindazol-6-yl)piperazin-1-yl]isoquinoline
SMILES	Cn1ncc2ccc(N3CCN(c4cncc5ccccc45)CC3)cc21
InChI	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
InChIKey	RESKVYRMFBGCMT-UHFFFAOYSA-N
XLogP	3.45
TPSA	37.19 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.43
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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).

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Sources

PubChem CID 155524325 — identifiers, structure, computed properties (public domain)

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