3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide

C23H28N4O3 — CID 68954689

IUPAC3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide
SMILESCCCN(C)CCOc1ccc(NC(=O)C=Cc2n[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H28N4O3/c1-4-13-27(2)14-15-30-21-11-9-17(16-22(21)29-3)24-23(28)12-10-20-18-7-5-6-8-19(18)25-26-20/h5-12,16H,4,13-15H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyDRASAARUWQATHR-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.94
Rot. Bonds10

About 3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide

3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide (PubChem CID 68954689) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide
PubChem CID68954689
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide
SMILESCCCN(C)CCOc1ccc(NC(=O)C=Cc2n[nH]c3ccccc23)cc1OC
InChIInChI=1S/C23H28N4O3/c1-4-13-27(2)14-15-30-21-11-9-17(16-22(21)29-3)24-23(28)12-10-20-18-7-5-6-8-19(18)25-26-20/h5-12,16H,4,13-15H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyDRASAARUWQATHR-UHFFFAOYSA-N
XLogP3.94
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 11304749
ethyl 4-[2-[4-[3-(1H-indazol-3-yl)prop-2-enoylamino]-2-methoxyphenoxy]ethylamino]piperidine-1-carboxylate
CID 68950285
3-(2-chlorophenyl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70144077
N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]-2-(methylamino)-4-phenylbenzamide
CID 71206238
N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide
CID 69239970
3-(1-benzothiophen-2-yl)-N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide
CID 70143434
N-[3-[2-(dipropylamino)ethoxy]-4-methoxyphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70147305
(E)-3-(3-methoxy-4-propoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953593
3-(4-hexoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 3433146
3-(3-methoxy-4-propoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 3440540
3-(3-methoxy-4-pentoxyphenyl)-N-naphthalen-2-ylprop-2-enamide
CID 4094107
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-(4-butoxy-3-methoxyphenyl)prop-2-enamide
CID 55744196

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide?
The IUPAC name of 3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide (CID 68954689) is 3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide.
What is the SMILES notation for 3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide?
The canonical SMILES for 3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide is CCCN(C)CCOc1ccc(NC(=O)C=Cc2n[nH]c3ccccc23)cc1OC.
What is the InChIKey of 3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide?
The InChIKey is DRASAARUWQATHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-13-27(2)14-15-30-21-11-9-17(16-22(21)29-3)24-23(28)12-10-20-18-7-5-6-8-19(18)25-26-20/h5-12,16H,4,13-15H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of 3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide?
3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide has a molecular weight of 408.50 g/mol, XLogP of 3.94, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 68954689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).