6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline

C21H17N5 — CID 71739813

IUPAC6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline
SMILESCn1cc(-c2ccc3cn(Cc4ccc5ncccc5c4)nc3c2)cn1
InChIInChI=1S/C21H17N5/c1-25-13-19(11-23-25)16-5-6-18-14-26(24-21(18)10-16)12-15-4-7-20-17(9-15)3-2-8-22-20/h2-11,13-14H,12H2,1H3
InChIKeyASSDAYRAIJUAKP-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.03
Rot. Bonds3

About 6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline

6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline (PubChem CID 71739813) has the molecular formula C21H17N5 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline
PubChem CID71739813
Molecular FormulaC21H17N5
Molecular Weight339.40 g/mol
Exact Mass339.15
IUPAC Name6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline
SMILESCn1cc(-c2ccc3cn(Cc4ccc5ncccc5c4)nc3c2)cn1
InChIInChI=1S/C21H17N5/c1-25-13-19(11-23-25)16-5-6-18-14-26(24-21(18)10-16)12-15-4-7-20-17(9-15)3-2-8-22-20/h2-11,13-14H,12H2,1H3
InChIKeyASSDAYRAIJUAKP-UHFFFAOYSA-N
XLogP4.03
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline?
The IUPAC name of 6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline (CID 71739813) is 6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline.
What is the SMILES notation for 6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline?
The canonical SMILES for 6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline is Cn1cc(-c2ccc3cn(Cc4ccc5ncccc5c4)nc3c2)cn1.
What is the InChIKey of 6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline?
The InChIKey is ASSDAYRAIJUAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5/c1-25-13-19(11-23-25)16-5-6-18-14-26(24-21(18)10-16)12-15-4-7-20-17(9-15)3-2-8-22-20/h2-11,13-14H,12H2,1H3.
What are the key properties of 6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline?
6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline has a molecular weight of 339.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1-methylpyrazol-4-yl)indazol-2-yl]methyl]quinoline is sourced from PubChem (CID 71739813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).