10-methoxypyrido[1,2-b]indazole

C36H30N6O3 — CID 139041187

IUPAC10-methoxypyrido[1,2-b]indazole
SMILESCOc1cccn2nc3ccccc3c12.COc1cccn2nc3ccccc3c12.COc1cccn2nc3ccccc3c12
InChIInChI=1S/3C12H10N2O/c3*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13-14/h3*2-8H,1H3
InChIKeyVLLDIUDTUXAMMJ-UHFFFAOYSA-N
MW594.68 g/mol
LogP7.49
Rot. Bonds3

About 10-methoxypyrido[1,2-b]indazole

10-methoxypyrido[1,2-b]indazole (PubChem CID 139041187) has the molecular formula C36H30N6O3 and a molecular weight of 594.68 g/mol. Its IUPAC name is 10-methoxypyrido[1,2-b]indazole.

Molecular Properties

Compound Name10-methoxypyrido[1,2-b]indazole
PubChem CID139041187
Molecular FormulaC36H30N6O3
Molecular Weight594.68 g/mol
Exact Mass594.24
IUPAC Name10-methoxypyrido[1,2-b]indazole
SMILESCOc1cccn2nc3ccccc3c12.COc1cccn2nc3ccccc3c12.COc1cccn2nc3ccccc3c12
InChIInChI=1S/3C12H10N2O/c3*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13-14/h3*2-8H,1H3
InChIKeyVLLDIUDTUXAMMJ-UHFFFAOYSA-N
XLogP7.49
TPSA79.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.68
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
3-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 90665374
3-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668361
3-(2-Fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193713
3-(4-ethylphenyl)-8-methoxy-1-(4-methoxyphenyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990631
8-Methoxy-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11517420
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
CID 44223243
2-Methyl-5-[1-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine;2-methyl-5-[2-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine
CID 44530458
US11530210, Example 193
CID 155389629
US11530210, Example 150
CID 155399897
US9725449, Example 13
CID 122686399

Frequently Asked Questions

What is the IUPAC name of 10-methoxypyrido[1,2-b]indazole?
The IUPAC name of 10-methoxypyrido[1,2-b]indazole (CID 139041187) is 10-methoxypyrido[1,2-b]indazole.
What is the SMILES notation for 10-methoxypyrido[1,2-b]indazole?
The canonical SMILES for 10-methoxypyrido[1,2-b]indazole is COc1cccn2nc3ccccc3c12.COc1cccn2nc3ccccc3c12.COc1cccn2nc3ccccc3c12.
What is the InChIKey of 10-methoxypyrido[1,2-b]indazole?
The InChIKey is VLLDIUDTUXAMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H10N2O/c3*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13-14/h3*2-8H,1H3.
What are the key properties of 10-methoxypyrido[1,2-b]indazole?
10-methoxypyrido[1,2-b]indazole has a molecular weight of 594.68 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxypyrido[1,2-b]indazole is sourced from PubChem (CID 139041187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).