6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline

C21H14N4 — CID 59859929

IUPAC6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline
SMILESc1cc(-c2ccnc3ccc(-c4ccc5[nH]ncc5c4)cc23)ccn1
InChIInChI=1S/C21H14N4/c1-3-20-17(13-24-25-20)11-15(1)16-2-4-21-19(12-16)18(7-10-23-21)14-5-8-22-9-6-14/h1-13H,(H,24,25)
InChIKeyDTSBCBAYOGVOSD-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.84
Rot. Bonds2

About 6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline

6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline (PubChem CID 59859929) has the molecular formula C21H14N4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline.

Molecular Properties

Compound Name6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline
PubChem CID59859929
Molecular FormulaC21H14N4
Molecular Weight322.37 g/mol
Exact Mass322.12
IUPAC Name6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline
SMILESc1cc(-c2ccnc3ccc(-c4ccc5[nH]ncc5c4)cc23)ccn1
InChIInChI=1S/C21H14N4/c1-3-20-17(13-24-25-20)11-15(1)16-2-4-21-19(12-16)18(7-10-23-21)14-5-8-22-9-6-14/h1-13H,(H,24,25)
InChIKeyDTSBCBAYOGVOSD-UHFFFAOYSA-N
XLogP4.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline?
The IUPAC name of 6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline (CID 59859929) is 6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline.
What is the SMILES notation for 6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline?
The canonical SMILES for 6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline is c1cc(-c2ccnc3ccc(-c4ccc5[nH]ncc5c4)cc23)ccn1.
What is the InChIKey of 6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline?
The InChIKey is DTSBCBAYOGVOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4/c1-3-20-17(13-24-25-20)11-15(1)16-2-4-21-19(12-16)18(7-10-23-21)14-5-8-22-9-6-14/h1-13H,(H,24,25).
What are the key properties of 6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline?
6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline has a molecular weight of 322.37 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-indazol-5-yl)-4-pyridin-4-ylquinoline is sourced from PubChem (CID 59859929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).