1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole

C22H19N3 — CID 20816245

IUPAC1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole
SMILESCc1ccncc1-c1ccc2c(c1)c(/C=C/c1ccccc1)nn2C
InChIInChI=1S/C22H19N3/c1-16-12-13-23-15-20(16)18-9-11-22-19(14-18)21(24-25(22)2)10-8-17-6-4-3-5-7-17/h3-15H,1-2H3/b10-8+
InChIKeyBOOGNINRTKLLQI-CSKARUKUSA-N
MW325.42 g/mol
LogP5.11
Rot. Bonds3

About 1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole

1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole (PubChem CID 20816245) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole.

Molecular Properties

Compound Name1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole
PubChem CID20816245
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole
SMILESCc1ccncc1-c1ccc2c(c1)c(/C=C/c1ccccc1)nn2C
InChIInChI=1S/C22H19N3/c1-16-12-13-23-15-20(16)18-9-11-22-19(14-18)21(24-25(22)2)10-8-17-6-4-3-5-7-17/h3-15H,1-2H3/b10-8+
InChIKeyBOOGNINRTKLLQI-CSKARUKUSA-N
XLogP5.11
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole?
The IUPAC name of 1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole (CID 20816245) is 1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole.
What is the SMILES notation for 1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole?
The canonical SMILES for 1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole is Cc1ccncc1-c1ccc2c(c1)c(/C=C/c1ccccc1)nn2C.
What is the InChIKey of 1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole?
The InChIKey is BOOGNINRTKLLQI-CSKARUKUSA-N. The full InChI is InChI=1S/C22H19N3/c1-16-12-13-23-15-20(16)18-9-11-22-19(14-18)21(24-25(22)2)10-8-17-6-4-3-5-7-17/h3-15H,1-2H3/b10-8+.
What are the key properties of 1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole?
1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole has a molecular weight of 325.42 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]indazole is sourced from PubChem (CID 20816245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).