1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole

C23H18N4 — CID 161209606

IUPAC1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole
SMILESC1=CC(c2cccnc2)Cc2c1c(-c1cccnc1)nn2-c1ccccc1
InChIInChI=1S/C23H18N4/c1-2-8-20(9-3-1)27-22-14-17(18-6-4-12-24-15-18)10-11-21(22)23(26-27)19-7-5-13-25-16-19/h1-13,15-17H,14H2
InChIKeyNNFMLNUSXAQCTK-UHFFFAOYSA-N
MW350.43 g/mol
LogP4.68
Rot. Bonds3

About 1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole

1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole (PubChem CID 161209606) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole.

Molecular Properties

Compound Name1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole
PubChem CID161209606
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Name1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole
SMILESC1=CC(c2cccnc2)Cc2c1c(-c1cccnc1)nn2-c1ccccc1
InChIInChI=1S/C23H18N4/c1-2-8-20(9-3-1)27-22-14-17(18-6-4-12-24-15-18)10-11-21(22)23(26-27)19-7-5-13-25-16-19/h1-13,15-17H,14H2
InChIKeyNNFMLNUSXAQCTK-UHFFFAOYSA-N
XLogP4.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole?
The IUPAC name of 1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole (CID 161209606) is 1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole.
What is the SMILES notation for 1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole?
The canonical SMILES for 1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole is C1=CC(c2cccnc2)Cc2c1c(-c1cccnc1)nn2-c1ccccc1.
What is the InChIKey of 1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole?
The InChIKey is NNFMLNUSXAQCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4/c1-2-8-20(9-3-1)27-22-14-17(18-6-4-12-24-15-18)10-11-21(22)23(26-27)19-7-5-13-25-16-19/h1-13,15-17H,14H2.
What are the key properties of 1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole?
1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole has a molecular weight of 350.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3,6-dipyridin-3-yl-6,7-dihydroindazole is sourced from PubChem (CID 161209606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).