[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine

C18H19N3O — CID 177379890

IUPAC[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine
SMILESCOc1ccc(-c2cccc(CN)c2)c2cn(C3CC3)nc12
InChIInChI=1S/C18H19N3O/c1-22-17-8-7-15(13-4-2-3-12(9-13)10-19)16-11-21(14-5-6-14)20-18(16)17/h2-4,7-9,11,14H,5-6,10,19H2,1H3
InChIKeyCDBURTGATHIFKR-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.51
Rot. Bonds4

About [3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine

[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine (PubChem CID 177379890) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is [3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine
PubChem CID177379890
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine
SMILESCOc1ccc(-c2cccc(CN)c2)c2cn(C3CC3)nc12
InChIInChI=1S/C18H19N3O/c1-22-17-8-7-15(13-4-2-3-12(9-13)10-19)16-11-21(14-5-6-14)20-18(16)17/h2-4,7-9,11,14H,5-6,10,19H2,1H3
InChIKeyCDBURTGATHIFKR-UHFFFAOYSA-N
XLogP3.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine?
The IUPAC name of [3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine (CID 177379890) is [3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine?
The canonical SMILES for [3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine is COc1ccc(-c2cccc(CN)c2)c2cn(C3CC3)nc12.
What is the InChIKey of [3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine?
The InChIKey is CDBURTGATHIFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-22-17-8-7-15(13-4-2-3-12(9-13)10-19)16-11-21(14-5-6-14)20-18(16)17/h2-4,7-9,11,14H,5-6,10,19H2,1H3.
What are the key properties of [3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine?
[3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine has a molecular weight of 293.37 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-cyclopropyl-7-methoxyindazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 177379890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).