3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine

C17H20N4O — CID 58088581

IUPAC3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNCCC(c1cccnc1)n1ncc2cccc(OC)c21
InChIInChI=1S/C17H20N4O/c1-18-10-8-15(13-6-4-9-19-11-13)21-17-14(12-20-21)5-3-7-16(17)22-2/h3-7,9,11-12,15,18H,8,10H2,1-2H3
InChIKeyGYHUNKTYLSSKJC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.64
Rot. Bonds6

About 3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine

3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 58088581) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound Name3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine
PubChem CID58088581
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine
SMILESCNCCC(c1cccnc1)n1ncc2cccc(OC)c21
InChIInChI=1S/C17H20N4O/c1-18-10-8-15(13-6-4-9-19-11-13)21-17-14(12-20-21)5-3-7-16(17)22-2/h3-7,9,11-12,15,18H,8,10H2,1-2H3
InChIKeyGYHUNKTYLSSKJC-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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Related Compounds

methyl 3-(7-methoxyindol-1-yl)-3-pyridin-3-ylpropanoate
CID 58088426
3-indazol-1-yl-N-methyl-3-phenylpropan-1-amine
CID 58088507
N-[(2,6-dimethoxyphenyl)-pyridin-3-ylmethyl]ethanamine
CID 116810300
2-(5-fluoro-2-methoxyphenyl)-N-methyl-2-pyridin-3-ylethanamine
CID 116824754
4-methoxy-3-[3-(methylamino)-1-pyridin-3-ylpropyl]-1H-indole-7-carbonitrile
CID 58088593
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]ethanamine
CID 81407071
2-methoxy-6-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]phenol
CID 28655237
2-(2-methoxyphenyl)-1-pyridin-3-ylethanamine
CID 22299211
1-[3-(methylamino)-1-phenylpropyl]indazole-5-carbonitrile
CID 67266662
3-(3-methoxynaphthalen-2-yl)-N-methyl-3-(tetrazol-2-yl)propan-1-amine
CID 44541078
3-(7-methoxy-1H-indazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 59831836
3-(7-methoxy-1-benzofuran-2-yl)-N-methyl-3-phenylpropan-1-amine
CID 58088427

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of 3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine (CID 58088581) is 3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for 3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for 3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine is CNCCC(c1cccnc1)n1ncc2cccc(OC)c21.
What is the InChIKey of 3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is GYHUNKTYLSSKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-18-10-8-15(13-6-4-9-19-11-13)21-17-14(12-20-21)5-3-7-16(17)22-2/h3-7,9,11-12,15,18H,8,10H2,1-2H3.
What are the key properties of 3-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine?
3-(7-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-(7-methoxyindazol-1-yl)-N-methyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 58088581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).