N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine

C23H26FN7O — CID 170593584

IUPACN-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
SMILESCc1nc2c(C)cc(-c3cc(F)c4nc(NC5CCN(C6CCC6)CC5)oc4c3)nn2n1
InChIInChI=1S/C23H26FN7O/c1-13-10-19(29-31-22(13)25-14(2)28-31)15-11-18(24)21-20(12-15)32-23(27-21)26-16-6-8-30(9-7-16)17-4-3-5-17/h10-12,16-17H,3-9H2,1-2H3,(H,26,27)
InChIKeyDYTLPRYCWCPBLE-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.12
Rot. Bonds4

About N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine

N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine (PubChem CID 170593584) has the molecular formula C23H26FN7O and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
PubChem CID170593584
Molecular FormulaC23H26FN7O
Molecular Weight435.51 g/mol
Exact Mass435.22
IUPAC NameN-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
SMILESCc1nc2c(C)cc(-c3cc(F)c4nc(NC5CCN(C6CCC6)CC5)oc4c3)nn2n1
InChIInChI=1S/C23H26FN7O/c1-13-10-19(29-31-22(13)25-14(2)28-31)15-11-18(24)21-20(12-15)32-23(27-21)26-16-6-8-30(9-7-16)17-4-3-5-17/h10-12,16-17H,3-9H2,1-2H3,(H,26,27)
InChIKeyDYTLPRYCWCPBLE-UHFFFAOYSA-N
XLogP4.12
TPSA84.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine with MolForge

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Related Compounds

N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
CID 170594005
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
CID 170593586
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine
CID 170593997
1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine
CID 170593791
N-(azetidin-3-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazole-2-carboxamide
CID 170593682
2-(1-cyclopropylpiperidin-4-yl)-6-(4-fluoro-2-methyl-1,3-benzoxazol-6-yl)-3H-pyrido[3,2-d]pyrimidin-4-one
CID 153382174
N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]azetidine-3-carboxamide
CID 170340705
4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine
CID 177038460
N-[6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridin-2-yl]-1-ethylazetidine-3-carboxamide
CID 170593655
N-(1-cyclobutylpiperidin-4-yl)-8-fluoro-2-methylquinoline-3-carboxamide
CID 167948096
6-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridin-6-yl)-2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazine
CID 170593579
5-fluoro-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-benzoxazole-4-carboxamide;hydrochloride
CID 140530123

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine (CID 170593584) is N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine is Cc1nc2c(C)cc(-c3cc(F)c4nc(NC5CCN(C6CCC6)CC5)oc4c3)nn2n1.
What is the InChIKey of N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is DYTLPRYCWCPBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O/c1-13-10-19(29-31-22(13)25-14(2)28-31)15-11-18(24)21-20(12-15)32-23(27-21)26-16-6-8-30(9-7-16)17-4-3-5-17/h10-12,16-17H,3-9H2,1-2H3,(H,26,27).
What are the key properties of N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine?
N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 435.51 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 170593584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).