(E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide

C17H15N3O3 — CID 21098459

IUPAC(E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc3[nH]ncc3c2)ccc1O
InChIInChI=1S/C17H15N3O3/c1-23-16-8-11(2-6-15(16)21)3-7-17(22)19-13-4-5-14-12(9-13)10-18-20-14/h2-10,21H,1H3,(H,18,20)(H,19,22)/b7-3+
InChIKeyMVVCKXHCAUOFSB-XVNBXDOJSA-N
MW309.33 g/mol
LogP2.93
Rot. Bonds4

About (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide

(E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide (PubChem CID 21098459) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide
PubChem CID21098459
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc3[nH]ncc3c2)ccc1O
InChIInChI=1S/C17H15N3O3/c1-23-16-8-11(2-6-15(16)21)3-7-17(22)19-13-4-5-14-12(9-13)10-18-20-14/h2-10,21H,1H3,(H,18,20)(H,19,22)/b7-3+
InChIKeyMVVCKXHCAUOFSB-XVNBXDOJSA-N
XLogP2.93
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-1H-Indazol-5-yl-4-methoxybenzamide
CID 3348038
N-(1H-indazol-5-yl)-3-methoxybenzamide
CID 6465251
N-(1H-indazol-5-yl)-3,4-dimethoxybenzamide
CID 6467207
3-ethoxy-N-(1H-indazol-5-yl)benzamide
CID 6468066
N-(1H-indazol-5-yl)-2,3-dimethoxybenzamide
CID 6469044
6-(4-Hydroxy-3-methoxyphenyl)-3-[e-2-(4-glycylamino-phenyl)-ethenyl]-1h-indazole
CID 135839329
2-(4-ethylphenoxy)-N-1H-indazol-5-ylacetamide
CID 17148692
(E)-3-(3-hydroxy-4-methoxyphenyl)-N-(1-methylindazol-4-yl)prop-2-enamide
CID 45376864
4-(1H-indazol-6-yl)-2-methoxyphenol
CID 142654165
6-ethoxy-3-[(1H-indazol-5-ylamino)methyl]-1H-quinolin-2-one
CID 25705944
N-(1H-indazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17167016
N-(1H-indazol-5-yl)-3-(3,4,5-trimethoxyphenyl)benzamide
CID 172440162

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide (CID 21098459) is (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc3[nH]ncc3c2)ccc1O.
What is the InChIKey of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
The InChIKey is MVVCKXHCAUOFSB-XVNBXDOJSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-16-8-11(2-6-15(16)21)3-7-17(22)19-13-4-5-14-12(9-13)10-18-20-14/h2-10,21H,1H3,(H,18,20)(H,19,22)/b7-3+.
What are the key properties of (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide?
(E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide has a molecular weight of 309.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-hydroxy-3-methoxyphenyl)-N-(1H-indazol-5-yl)prop-2-enamide is sourced from PubChem (CID 21098459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).