(5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone

C23H20N4O — CID 90897556

IUPAC(5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone
SMILESCc1cc(C)c(C(=O)c2ccc3c(C=Cc4ccccn4)n[nH]c3c2)cc1N
InChIInChI=1S/C23H20N4O/c1-14-11-15(2)20(24)13-19(14)23(28)16-6-8-18-21(26-27-22(18)12-16)9-7-17-5-3-4-10-25-17/h3-13H,24H2,1-2H3,(H,26,27)
InChIKeyIJSAVCNZZPTSQI-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.56
Rot. Bonds4

About (5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone

(5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone (PubChem CID 90897556) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is (5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone
PubChem CID90897556
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone
SMILESCc1cc(C)c(C(=O)c2ccc3c(C=Cc4ccccn4)n[nH]c3c2)cc1N
InChIInChI=1S/C23H20N4O/c1-14-11-15(2)20(24)13-19(14)23(28)16-6-8-18-21(26-27-22(18)12-16)9-7-17-5-3-4-10-25-17/h3-13H,24H2,1-2H3,(H,26,27)
InChIKeyIJSAVCNZZPTSQI-UHFFFAOYSA-N
XLogP4.56
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone?
The IUPAC name of (5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone (CID 90897556) is (5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone.
What is the SMILES notation for (5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone?
The canonical SMILES for (5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone is Cc1cc(C)c(C(=O)c2ccc3c(C=Cc4ccccn4)n[nH]c3c2)cc1N.
What is the InChIKey of (5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone?
The InChIKey is IJSAVCNZZPTSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c1-14-11-15(2)20(24)13-19(14)23(28)16-6-8-18-21(26-27-22(18)12-16)9-7-17-5-3-4-10-25-17/h3-13H,24H2,1-2H3,(H,26,27).
What are the key properties of (5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone?
(5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone has a molecular weight of 368.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylphenyl)-[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]methanone is sourced from PubChem (CID 90897556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).