4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

C31H34N8O4 — CID 142744955

IUPAC4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCOc1ccc(CN2CC(Cc3nnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nn34)Oc3cccnc32)cc1
InChIInChI=1S/C31H34N8O4/c1-40-24-9-7-22(8-10-24)19-37-21-25(43-27-5-4-13-32-31(27)37)17-29-35-34-28-12-11-26(36-39(28)29)23-18-33-38(20-23)14-16-42-30-6-2-3-15-41-30/h4-5,7-13,18,20,25,30H,2-3,6,14-17,19,21H2,1H3
InChIKeyJYHSAXBGLUXCMI-UHFFFAOYSA-N
MW582.67 g/mol
LogP3.94
Rot. Bonds10

About 4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 142744955) has the molecular formula C31H34N8O4 and a molecular weight of 582.67 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID142744955
Molecular FormulaC31H34N8O4
Molecular Weight582.67 g/mol
Exact Mass582.27
IUPAC Name4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCOc1ccc(CN2CC(Cc3nnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nn34)Oc3cccnc32)cc1
InChIInChI=1S/C31H34N8O4/c1-40-24-9-7-22(8-10-24)19-37-21-25(43-27-5-4-13-32-31(27)37)17-29-35-34-28-12-11-26(36-39(28)29)23-18-33-38(20-23)14-16-42-30-6-2-3-15-41-30/h4-5,7-13,18,20,25,30H,2-3,6,14-17,19,21H2,1H3
InChIKeyJYHSAXBGLUXCMI-UHFFFAOYSA-N
XLogP3.94
TPSA113.95 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.67
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine with MolForge

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Related Compounds

4-[(4-methoxyphenyl)methyl]-2-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 142744959
2-[4-[(4-methoxyphenyl)methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-2-yl]acetohydrazide
CID 142744939
6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-2H-[1,2,4]triazolo[4,3-a]pyridine-3-thione
CID 89443564
(2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 166638231
4-chloro-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrazole
CID 99799549
2-(difluoromethyl)-6-N-[(2,4-dimethoxyphenyl)methyl]-4-N-[4-methoxy-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-2-pyridinyl]pyrimidine-4,6-diamine
CID 170305748
2,9-bis[2-(oxan-2-yloxy)ethyl]-2,4,9,11-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 101178662
2-chloro-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]pyridine
CID 137373649
2-[4-[3-[[3-(hydroxymethyl)pyrazolo[1,2-a]pyridazin-9-ium-6-yl]methyl]triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;3-(imidazo[1,2-a]pyridin-6-ylmethyl)-5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]triazolo[4,5-b]pyrazine
CID 157366960
N-[[4-[1-[2-(oxan-2-yloxy)ethyl]triazol-4-yl]phenyl]methyl]propan-2-amine
CID 153349678
1-[2-(oxan-2-yloxy)ethyl]pyrazole-4-carboxylic acid
CID 22064747
2-[[6-(1-methylindol-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 142744972

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 142744955) is 4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is COc1ccc(CN2CC(Cc3nnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nn34)Oc3cccnc32)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is JYHSAXBGLUXCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O4/c1-40-24-9-7-22(8-10-24)19-37-21-25(43-27-5-4-13-32-31(27)37)17-29-35-34-28-12-11-26(36-39(28)29)23-18-33-38(20-23)14-16-42-30-6-2-3-15-41-30/h4-5,7-13,18,20,25,30H,2-3,6,14-17,19,21H2,1H3.
What are the key properties of 4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 582.67 g/mol, XLogP of 3.94, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-2-[[6-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 142744955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).