3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine

C18H25N5O2 — CID 142499118

IUPAC3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine
SMILESC/N=C(/C=C(N)c1n[nH]c2ccc(OC)cc12)N1CC(C)OC(C)C1
InChIInChI=1S/C18H25N5O2/c1-11-9-23(10-12(2)25-11)17(20-3)8-15(19)18-14-7-13(24-4)5-6-16(14)21-22-18/h5-8,11-12H,9-10,19H2,1-4H3,(H,21,22)/b15-8?,20-17-
InChIKeyTZVHRTNWTQAKHU-PJZGTPCQSA-N
MW343.43 g/mol
LogP2.01
Rot. Bonds3

About 3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine

3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine (PubChem CID 142499118) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine
PubChem CID142499118
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine
SMILESC/N=C(/C=C(N)c1n[nH]c2ccc(OC)cc12)N1CC(C)OC(C)C1
InChIInChI=1S/C18H25N5O2/c1-11-9-23(10-12(2)25-11)17(20-3)8-15(19)18-14-7-13(24-4)5-6-16(14)21-22-18/h5-8,11-12H,9-10,19H2,1-4H3,(H,21,22)/b15-8?,20-17-
InChIKeyTZVHRTNWTQAKHU-PJZGTPCQSA-N
XLogP2.01
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine with MolForge

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Related Compounds

(Z)-3-ethenylimino-1-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-3-[(3S)-3-methyl-4-(3,3,3-trifluoropropyl)piperazin-1-yl]prop-1-en-1-amine
CID 137174274
(Z)-3-ethenylimino-1-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-1-en-1-amine
CID 136641001
[3-(3-amino-1H-indazol-5-yl)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 122556465
(2,6-dimethylmorpholin-4-yl)-(6-methoxy-1H-indol-2-yl)methanone
CID 4870192
1-azabicyclo[2.2.2]octan-3-yl 5-methoxy-1H-indazole-3-carboxylate;formic acid
CID 11695936
(2,5-dimethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 39910406
2,5-diazabicyclo[2.2.2]octan-2-yl-(5-methoxy-1H-indazol-3-yl)methanone;hydrochloride
CID 11738804
(2,6-dimethylmorpholin-4-yl)-(7-methoxy-2-methylquinolin-3-yl)methanone
CID 42924708
5-methoxy-N-methyl-N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indazole-3-carboxamide
CID 67274033
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 929424
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759699
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302590

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine (CID 142499118) is 3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine is C/N=C(/C=C(N)c1n[nH]c2ccc(OC)cc12)N1CC(C)OC(C)C1.
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine?
The InChIKey is TZVHRTNWTQAKHU-PJZGTPCQSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-9-23(10-12(2)25-11)17(20-3)8-15(19)18-14-7-13(24-4)5-6-16(14)21-22-18/h5-8,11-12H,9-10,19H2,1-4H3,(H,21,22)/b15-8?,20-17-.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine?
3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine has a molecular weight of 343.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-1-(5-methoxy-1H-indazol-3-yl)-3-methyliminoprop-1-en-1-amine is sourced from PubChem (CID 142499118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).