N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide

C22H23N3O2 — CID 142855166

IUPACN-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide
SMILESC=C(Cn1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc21)OC
InChIInChI=1S/C22H23N3O2/c1-14-4-5-17(22(26)24-19-7-8-19)11-20(14)16-6-9-21-18(10-16)12-23-25(21)13-15(2)27-3/h4-6,9-12,19H,2,7-8,13H2,1,3H3,(H,24,26)
InChIKeyFVVJEKGNFDFRAQ-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.06
Rot. Bonds6

About N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide (PubChem CID 142855166) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide
PubChem CID142855166
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide
SMILESC=C(Cn1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc21)OC
InChIInChI=1S/C22H23N3O2/c1-14-4-5-17(22(26)24-19-7-8-19)11-20(14)16-6-9-21-18(10-16)12-23-25(21)13-15(2)27-3/h4-6,9-12,19H,2,7-8,13H2,1,3H3,(H,24,26)
InChIKeyFVVJEKGNFDFRAQ-UHFFFAOYSA-N
XLogP4.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-3-fluoro-5-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]indazol-5-yl]-4-methylbenzamide
CID 58656502
N-cyclopropyl-4-methyl-3-[1-(2-methylphenyl)-2-oxoquinazolin-6-yl]benzamide
CID 23658560
3-[1-(3-cyanophenyl)sulfonylindazol-5-yl]-N-cyclopropyl-4-methylbenzamide
CID 10027072
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
CID 71211058
N-cyclopropyl-4-methyl-3-[1-[5-(1,2-oxazol-3-yl)thiophen-2-yl]sulfonylindazol-5-yl]benzamide
CID 10323853
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848510
N-cyclopropyl-3-(1-ethylsulfonylindazol-5-yl)-5-fluoro-4-methylbenzamide
CID 58656518
N-cyclopropyl-4-methyl-3-(1-oxo-2-prop-2-enylisoquinolin-6-yl)benzamide
CID 25020456
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
N-cyclopropyl-3-[2-[3-(dimethylamino)propyl]quinazolin-6-yl]-4-methylbenzamide
CID 58829067
[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid
CID 69464228

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide (CID 142855166) is N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide is C=C(Cn1ncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc21)OC.
What is the InChIKey of N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide?
The InChIKey is FVVJEKGNFDFRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-4-5-17(22(26)24-19-7-8-19)11-20(14)16-6-9-21-18(10-16)12-23-25(21)13-15(2)27-3/h4-6,9-12,19H,2,7-8,13H2,1,3H3,(H,24,26).
What are the key properties of N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-(2-methoxyprop-2-enyl)indazol-5-yl]-4-methylbenzamide is sourced from PubChem (CID 142855166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).