6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C19H23FN6O2 — CID 177020044

IUPAC6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(OC2CCN(c3nn4c(C)nnc4c(C)c3C)CC2F)cn1
InChIInChI=1S/C19H23FN6O2/c1-11-12(2)19(24-26-13(3)22-23-18(11)26)25-8-7-16(15(20)10-25)28-14-5-6-17(27-4)21-9-14/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyJHSCTNKGANEQOD-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.45
Rot. Bonds4

About 6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 177020044) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is 6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID177020044
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(OC2CCN(c3nn4c(C)nnc4c(C)c3C)CC2F)cn1
InChIInChI=1S/C19H23FN6O2/c1-11-12(2)19(24-26-13(3)22-23-18(11)26)25-8-7-16(15(20)10-25)28-14-5-6-17(27-4)21-9-14/h5-6,9,15-16H,7-8,10H2,1-4H3
InChIKeyJHSCTNKGANEQOD-UHFFFAOYSA-N
XLogP2.45
TPSA77.67 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5,6-dimethylpyrimidine
CID 135154118
3-[1-(3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]oxybenzonitrile
CID 177019982
2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine
CID 135154666
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1H-pyrazolo[5,4-b]pyridine
CID 135154189
7-[(3S,4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-3-fluoropiperidin-1-yl]-8-methylpyrimido[1,2-b]pyridazin-4-one
CID 170108648
4-(6-fluoro-3-pyridinyl)-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine
CID 135150529
methanol;2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,4,6-trimethyl-7H-pyrrolo[3,4-b]pyridin-5-one
CID 145341676
2-methoxy-5-[(3R,4S)-3-methylpiperidin-4-yl]oxypyridine
CID 129278174
[4-chloro-6-[(3R,4S)-3-fluoro-4-(1-methylindazol-5-yl)oxypiperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
CID 139581399
6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methyl-1,2-dihydropyrazolo[3,4-b]pyridin-3-one
CID 135154625
3-fluoro-1-(2-fluoro-5-methoxyphenyl)-4-phenoxypiperidine
CID 141404874
5-chloro-4-[4-[4-[(3S)-3-ethyl-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-fluoropiperidin-1-yl]-2-methoxypyridine
CID 144629801

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 177020044) is 6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(OC2CCN(c3nn4c(C)nnc4c(C)c3C)CC2F)cn1.
What is the InChIKey of 6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JHSCTNKGANEQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-11-12(2)19(24-26-13(3)22-23-18(11)26)25-8-7-16(15(20)10-25)28-14-5-6-17(27-4)21-9-14/h5-6,9,15-16H,7-8,10H2,1-4H3.
What are the key properties of 6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 386.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-3,7,8-trimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 177020044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).