3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine

C17H20N4O — CID 58088444

IUPAC3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNCCC(c1cccnc1)n1ncc2c(OC)cccc21
InChIInChI=1S/C17H20N4O/c1-18-10-8-15(13-5-4-9-19-11-13)21-16-6-3-7-17(22-2)14(16)12-20-21/h3-7,9,11-12,15,18H,8,10H2,1-2H3
InChIKeyMSGIAWSVGJSMEV-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.64
Rot. Bonds6

About 3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine

3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 58088444) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine
PubChem CID58088444
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNCCC(c1cccnc1)n1ncc2c(OC)cccc21
InChIInChI=1S/C17H20N4O/c1-18-10-8-15(13-5-4-9-19-11-13)21-16-6-3-7-17(22-2)14(16)12-20-21/h3-7,9,11-12,15,18H,8,10H2,1-2H3
InChIKeyMSGIAWSVGJSMEV-UHFFFAOYSA-N
XLogP2.64
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine (CID 58088444) is 3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine is CNCCC(c1cccnc1)n1ncc2c(OC)cccc21.
What is the InChIKey of 3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is MSGIAWSVGJSMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-18-10-8-15(13-5-4-9-19-11-13)21-16-6-3-7-17(22-2)14(16)12-20-21/h3-7,9,11-12,15,18H,8,10H2,1-2H3.
What are the key properties of 3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 296.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 58088444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).