1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone

C17H16N4O — CID 146415639

IUPAC1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone
SMILESC=CCn1nc(C(C)=O)c2cc(-c3cnc(C)nc3)ccc21
InChIInChI=1S/C17H16N4O/c1-4-7-21-16-6-5-13(14-9-18-12(3)19-10-14)8-15(16)17(20-21)11(2)22/h4-6,8-10H,1,7H2,2-3H3
InChIKeyCVRMXUPPFWYSOF-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.19
Rot. Bonds4

About 1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone

1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone (PubChem CID 146415639) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone
PubChem CID146415639
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone
SMILESC=CCn1nc(C(C)=O)c2cc(-c3cnc(C)nc3)ccc21
InChIInChI=1S/C17H16N4O/c1-4-7-21-16-6-5-13(14-9-18-12(3)19-10-14)8-15(16)17(20-21)11(2)22/h4-6,8-10H,1,7H2,2-3H3
InChIKeyCVRMXUPPFWYSOF-UHFFFAOYSA-N
XLogP3.19
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[2-[(4S)-4-fluoropyrrolidin-2-yl]ethyl]-5-(2-methylpyrimidin-5-yl)indazol-3-yl]ethanone
CID 126670822
1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-5-oxopyrrolidine-2-carboxylic acid
CID 126643054
2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid
CID 126623337
(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]ethyl]-4-fluoropyrrolidine-2-carboxylic acid
CID 146404729
2-[3-acetyl-7-but-3-enyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetaldehyde
CID 166697065
2-[3-acetyl-5-[2-(2-ethoxy-2-oxoethyl)pyrimidin-5-yl]indazol-1-yl]acetic acid
CID 126623404
2-[3-acetyl-7-ethyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetaldehyde
CID 171817438
2-[3-acetyl-5-(2-methyl-1-oxidopyrimidin-1-ium-5-yl)indazol-1-yl]acetic acid
CID 126642959
(2S,4S,5R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methyl-2-pyridinyl)-5-ethenyl-4-methylpyrrolidine-2-carboxamide
CID 174371598
2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid
CID 126623374
tert-butyl 2-[3-acetyl-5-[2-[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]indazol-1-yl]acetate
CID 126623181
butyl 2-[3-acetyl-5-(2-chloropyrimidin-5-yl)indazol-1-yl]acetate
CID 126670793

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone?
The IUPAC name of 1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone (CID 146415639) is 1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone is C=CCn1nc(C(C)=O)c2cc(-c3cnc(C)nc3)ccc21.
What is the InChIKey of 1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone?
The InChIKey is CVRMXUPPFWYSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-4-7-21-16-6-5-13(14-9-18-12(3)19-10-14)8-15(16)17(20-21)11(2)22/h4-6,8-10H,1,7H2,2-3H3.
What are the key properties of 1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone?
1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone has a molecular weight of 292.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-methylpyrimidin-5-yl)-1-prop-2-enylindazol-3-yl]ethanone is sourced from PubChem (CID 146415639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).