[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate

C19H18FN5O4 — CID 121281412

IUPAC[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate
SMILESCOC(=O)Oc1coc(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)n1
InChIInChI=1S/C19H18FN5O4/c1-27-18(26)29-15-10-28-17(23-15)13-5-6-14(25-24-13)22-11-19(7-3-8-19)16-12(20)4-2-9-21-16/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,22,25)
InChIKeyTVHDUGDWIXUDOD-UHFFFAOYSA-N
MW399.38 g/mol
LogP3.34
Rot. Bonds6

About [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate

[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate (PubChem CID 121281412) has the molecular formula C19H18FN5O4 and a molecular weight of 399.38 g/mol. Its IUPAC name is [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate.

Molecular Properties

Compound Name[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate
PubChem CID121281412
Molecular FormulaC19H18FN5O4
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate
SMILESCOC(=O)Oc1coc(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)n1
InChIInChI=1S/C19H18FN5O4/c1-27-18(26)29-15-10-28-17(23-15)13-5-6-14(25-24-13)22-11-19(7-3-8-19)16-12(20)4-2-9-21-16/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,22,25)
InChIKeyTVHDUGDWIXUDOD-UHFFFAOYSA-N
XLogP3.34
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1-methylimidazole-4-carboxylate
CID 67453912
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 77432036
2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]propan-2-ol;methyl 6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carboxylate
CID 161332730
6-(2-chloro-3-pyridinyl)-N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine;N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(2-methoxy-3-pyridinyl)pyridazin-3-amine
CID 159158984
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-4-yl] hydrogen carbonate
CID 121281936
N-[[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]methyl]formamide
CID 121286033
amino-[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,2-oxazol-3-yl]methanol
CID 131981877
amino-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1H-pyrazol-5-yl]methanol
CID 123726192
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 67453653
3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-3,4-dihydro-1,2,4-triazol-5-one
CID 77431981
N-[[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]methyl]-2-methylpropane-2-sulfinamide
CID 67452874
2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzamide;2-fluoro-5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-N-propylbenzenecarbothioamide
CID 157428665

Frequently Asked Questions

What is the IUPAC name of [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate?
The IUPAC name of [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate (CID 121281412) is [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate.
What is the SMILES notation for [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate?
The canonical SMILES for [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate is COC(=O)Oc1coc(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)n1.
What is the InChIKey of [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate?
The InChIKey is TVHDUGDWIXUDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O4/c1-27-18(26)29-15-10-28-17(23-15)13-5-6-14(25-24-13)22-11-19(7-3-8-19)16-12(20)4-2-9-21-16/h2,4-6,9-10H,3,7-8,11H2,1H3,(H,22,25).
What are the key properties of [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate?
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate has a molecular weight of 399.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate is sourced from PubChem (CID 121281412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).