(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide

C23H26N4O4 — CID 11304749

IUPAC(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2n[nH]c3ccccc23)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H26N4O4/c1-29-22-16-17(6-8-21(22)31-15-12-27-10-13-30-14-11-27)24-23(28)9-7-20-18-4-2-3-5-19(18)25-26-20/h2-9,16H,10-15H2,1H3,(H,24,28)(H,25,26)/b9-7+
InChIKeyZOXOITLUYSGMGB-VQHVLOKHSA-N
MW422.49 g/mol
LogP2.93
Rot. Bonds8

About (E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide

(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide (PubChem CID 11304749) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is (E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
PubChem CID11304749
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2n[nH]c3ccccc23)ccc1OCCN1CCOCC1
InChIInChI=1S/C23H26N4O4/c1-29-22-16-17(6-8-21(22)31-15-12-27-10-13-30-14-11-27)24-23(28)9-7-20-18-4-2-3-5-19(18)25-26-20/h2-9,16H,10-15H2,1H3,(H,24,28)(H,25,26)/b9-7+
InChIKeyZOXOITLUYSGMGB-VQHVLOKHSA-N
XLogP2.93
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indazol-3-yl)-N-[3-methoxy-4-[2-[methyl(propyl)amino]ethoxy]phenyl]prop-2-enamide
CID 68954689
ethyl 4-[2-[4-[3-(1H-indazol-3-yl)prop-2-enoylamino]-2-methoxyphenoxy]ethylamino]piperidine-1-carboxylate
CID 68950285
(E)-N-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 67102748
4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine
CID 68999984
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]prop-2-enamide
CID 84560023
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 68997604
N-(1H-indazol-3-yl)-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide
CID 58262604
2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)aniline
CID 68998374
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 69001751
3-[2-chloro-4-(difluoromethyl)phenyl]-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-ynamide
CID 143193241
(E)-3-(2-chlorophenyl)-N-[3-[2-[4-(1H-indol-2-ylmethyl)piperidin-1-yl]ethoxy]-4-methoxyphenyl]prop-2-enamide;hydrochloride
CID 44535387
N-(1,3-benzothiazol-6-yl)-3-(1H-indazol-3-yl)prop-2-enamide
CID 69239970

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide (CID 11304749) is (E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide is COc1cc(NC(=O)/C=C/c2n[nH]c3ccccc23)ccc1OCCN1CCOCC1.
What is the InChIKey of (E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide?
The InChIKey is ZOXOITLUYSGMGB-VQHVLOKHSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-29-22-16-17(6-8-21(22)31-15-12-27-10-13-30-14-11-27)24-23(28)9-7-20-18-4-2-3-5-19(18)25-26-20/h2-9,16H,10-15H2,1H3,(H,24,28)(H,25,26)/b9-7+.
What are the key properties of (E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide?
(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide has a molecular weight of 422.49 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 11304749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).