4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole

C88H62N18 — CID 158720327

IUPAC4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole
SMILESc1cc(-c2ccc3[nH]ncc3c2)c2cccnc2c1.c1cc(-c2ccc3[nH]ncc3c2)c2ccncc2c1.c1cc(-c2ccc3[nH]ncc3c2)ccn1.c1ccc2c(-c3ccc4[nH]ncc4c3)ccnc2c1.c1ccc2c(-c3ccc4[nH]ncc4c3)cncc2c1.c1cncc(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/4C16H11N3.2C12H9N3/c1-3-13(14-4-2-8-17-16(14)5-1)11-6-7-15-12(9-11)10-18-19-15;1-2-12-9-17-7-6-15(12)14(3-1)11-4-5-16-13(8-11)10-18-19-16;1-2-4-14-12(3-1)8-17-10-15(14)11-5-6-16-13(7-11)9-18-19-16;1-2-4-16-14(3-1)13(7-8-17-16)11-5-6-15-12(9-11)10-18-19-15;1-2-12-11(8-14-15-12)7-10(1)9-3-5-13-6-4-9;1-2-10(7-13-5-1)9-3-4-12-11(6-9)8-14-15-12/h4*1-10H,(H,18,19);2*1-8H,(H,14,15)
InChIKeyIJVJLXOIBYCBFR-UHFFFAOYSA-N
MW1371.59 g/mol
LogP20.36
Rot. Bonds6

About 4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole

4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole (PubChem CID 158720327) has the molecular formula C88H62N18 and a molecular weight of 1371.59 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole
PubChem CID158720327
Molecular FormulaC88H62N18
Molecular Weight1371.59 g/mol
Exact Mass1370.54
IUPAC Name4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole
SMILESc1cc(-c2ccc3[nH]ncc3c2)c2cccnc2c1.c1cc(-c2ccc3[nH]ncc3c2)c2ccncc2c1.c1cc(-c2ccc3[nH]ncc3c2)ccn1.c1ccc2c(-c3ccc4[nH]ncc4c3)ccnc2c1.c1ccc2c(-c3ccc4[nH]ncc4c3)cncc2c1.c1cncc(-c2ccc3[nH]ncc3c2)c1
InChIInChI=1S/4C16H11N3.2C12H9N3/c1-3-13(14-4-2-8-17-16(14)5-1)11-6-7-15-12(9-11)10-18-19-15;1-2-12-9-17-7-6-15(12)14(3-1)11-4-5-16-13(8-11)10-18-19-16;1-2-4-14-12(3-1)8-17-10-15(14)11-5-6-16-13(7-11)9-18-19-16;1-2-4-16-14(3-1)13(7-8-17-16)11-5-6-15-12(9-11)10-18-19-15;1-2-12-11(8-14-15-12)7-10(1)9-3-5-13-6-4-9;1-2-10(7-13-5-1)9-3-4-12-11(6-9)8-14-15-12/h4*1-10H,(H,18,19);2*1-8H,(H,14,15)
InChIKeyIJVJLXOIBYCBFR-UHFFFAOYSA-N
XLogP20.36
TPSA249.42 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001371.59
LogP ≤ 520.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole?
The IUPAC name of 4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole (CID 158720327) is 4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole.
What is the SMILES notation for 4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole?
The canonical SMILES for 4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole is c1cc(-c2ccc3[nH]ncc3c2)c2cccnc2c1.c1cc(-c2ccc3[nH]ncc3c2)c2ccncc2c1.c1cc(-c2ccc3[nH]ncc3c2)ccn1.c1ccc2c(-c3ccc4[nH]ncc4c3)ccnc2c1.c1ccc2c(-c3ccc4[nH]ncc4c3)cncc2c1.c1cncc(-c2ccc3[nH]ncc3c2)c1.
What is the InChIKey of 4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole?
The InChIKey is IJVJLXOIBYCBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H11N3.2C12H9N3/c1-3-13(14-4-2-8-17-16(14)5-1)11-6-7-15-12(9-11)10-18-19-15;1-2-12-9-17-7-6-15(12)14(3-1)11-4-5-16-13(8-11)10-18-19-16;1-2-4-14-12(3-1)8-17-10-15(14)11-5-6-16-13(7-11)9-18-19-16;1-2-4-16-14(3-1)13(7-8-17-16)11-5-6-15-12(9-11)10-18-19-15;1-2-12-11(8-14-15-12)7-10(1)9-3-5-13-6-4-9;1-2-10(7-13-5-1)9-3-4-12-11(6-9)8-14-15-12/h4*1-10H,(H,18,19);2*1-8H,(H,14,15).
What are the key properties of 4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole?
4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole has a molecular weight of 1371.59 g/mol, XLogP of 20.36, 6 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)isoquinoline;5-(1H-indazol-5-yl)isoquinoline;4-(1H-indazol-5-yl)quinoline;5-(1H-indazol-5-yl)quinoline;5-pyridin-3-yl-1H-indazole;5-pyridin-4-yl-1H-indazole is sourced from PubChem (CID 158720327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).