4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline

C21H21N5 — CID 155533469

IUPAC4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline
SMILESCn1cc2ccc(N3CCN(c4cncc5ccccc45)CC3)cc2n1
InChIInChI=1S/C21H21N5/c1-24-15-17-6-7-18(12-20(17)23-24)25-8-10-26(11-9-25)21-14-22-13-16-4-2-3-5-19(16)21/h2-7,12-15H,8-11H2,1H3
InChIKeyLKOAVQQYLMAPHB-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.45
Rot. Bonds2

About 4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline

4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline (PubChem CID 155533469) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline.

Molecular Properties

Compound Name4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline
PubChem CID155533469
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline
SMILESCn1cc2ccc(N3CCN(c4cncc5ccccc45)CC3)cc2n1
InChIInChI=1S/C21H21N5/c1-24-15-17-6-7-18(12-20(17)23-24)25-8-10-26(11-9-25)21-14-22-13-16-4-2-3-5-19(16)21/h2-7,12-15H,8-11H2,1H3
InChIKeyLKOAVQQYLMAPHB-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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline?
The IUPAC name of 4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline (CID 155533469) is 4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline.
What is the SMILES notation for 4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline?
The canonical SMILES for 4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline is Cn1cc2ccc(N3CCN(c4cncc5ccccc45)CC3)cc2n1.
What is the InChIKey of 4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline?
The InChIKey is LKOAVQQYLMAPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-24-15-17-6-7-18(12-20(17)23-24)25-8-10-26(11-9-25)21-14-22-13-16-4-2-3-5-19(16)21/h2-7,12-15H,8-11H2,1H3.
What are the key properties of 4-[4-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline?
4-[4-(2-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-(2-methylindazol-6-yl)piperazin-1-yl]isoquinoline is sourced from PubChem (CID 155533469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).