5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole

C22H18ClN3 — CID 10133119

IUPAC5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
SMILESCCc1cncc(-c2ccc3[nH]nc(/C=C/c4ccccc4)c3c2)c1Cl
InChIInChI=1S/C22H18ClN3/c1-2-16-13-24-14-19(22(16)23)17-9-11-21-18(12-17)20(25-26-21)10-8-15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,25,26)/b10-8+
InChIKeyRIYDQWQVHBZNPO-CSKARUKUSA-N
MW359.86 g/mol
LogP6.01
Rot. Bonds4

About 5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole

5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole (PubChem CID 10133119) has the molecular formula C22H18ClN3 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole.

Molecular Properties

Compound Name5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
PubChem CID10133119
Molecular FormulaC22H18ClN3
Molecular Weight359.86 g/mol
Exact Mass359.12
IUPAC Name5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole
SMILESCCc1cncc(-c2ccc3[nH]nc(/C=C/c4ccccc4)c3c2)c1Cl
InChIInChI=1S/C22H18ClN3/c1-2-16-13-24-14-19(22(16)23)17-9-11-21-18(12-17)20(25-26-21)10-8-15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,25,26)/b10-8+
InChIKeyRIYDQWQVHBZNPO-CSKARUKUSA-N
XLogP6.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.86
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
The IUPAC name of 5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole (CID 10133119) is 5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole.
What is the SMILES notation for 5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
The canonical SMILES for 5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole is CCc1cncc(-c2ccc3[nH]nc(/C=C/c4ccccc4)c3c2)c1Cl.
What is the InChIKey of 5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
The InChIKey is RIYDQWQVHBZNPO-CSKARUKUSA-N. The full InChI is InChI=1S/C22H18ClN3/c1-2-16-13-24-14-19(22(16)23)17-9-11-21-18(12-17)20(25-26-21)10-8-15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,25,26)/b10-8+.
What are the key properties of 5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole?
5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole has a molecular weight of 359.86 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-5-ethyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole is sourced from PubChem (CID 10133119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).