[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

C21H20FN5O3S — CID 121281936

IUPAC[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
SMILESO=C(O)OC1CCc2sc(-c3ccc(NCC4(c5ncccc5F)CCC4)nn3)nc21
InChIInChI=1S/C21H20FN5O3S/c22-12-3-1-10-23-18(12)21(8-2-9-21)11-24-16-7-4-13(26-27-16)19-25-17-14(30-20(28)29)5-6-15(17)31-19/h1,3-4,7,10,14H,2,5-6,8-9,11H2,(H,24,27)(H,28,29)
InChIKeyRVRPVZIPLGWWSJ-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.35
Rot. Bonds6

About [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

[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 (PubChem CID 121281936) has the molecular formula C21H20FN5O3S and a molecular weight of 441.49 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID121281936
Molecular FormulaC21H20FN5O3S
Molecular Weight441.49 g/mol
Exact Mass441.13
IUPAC Name[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
SMILESO=C(O)OC1CCc2sc(-c3ccc(NCC4(c5ncccc5F)CCC4)nn3)nc21
InChIInChI=1S/C21H20FN5O3S/c22-12-3-1-10-23-18(12)21(8-2-9-21)11-24-16-7-4-13(26-27-16)19-25-17-14(30-20(28)29)5-6-15(17)31-19/h1,3-4,7,10,14H,2,5-6,8-9,11H2,(H,24,27)(H,28,29)
InChIKeyRVRPVZIPLGWWSJ-UHFFFAOYSA-N
XLogP4.35
TPSA110.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [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 with MolForge

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Related Compounds

N-[[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]methyl]formamide
CID 121286033
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate
CID 121281412
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 67453653
N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-[5-(2,2,2-trifluoro-1-nitrosoethyl)-1,3-thiazol-2-yl]pyridazin-3-amine
CID 123507272
amino-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1H-pyrazol-5-yl]methanol
CID 123726192
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
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
amino-[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,2-oxazol-3-yl]methanol
CID 131981877
5-chloro-2-[5-chloro-6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazole-4-carboxylic acid
CID 118498119
6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]-N-(1,3-thiazol-2-yl)pyridazine-3-carboxamide
CID 88899569

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(O)OC1CCc2sc(-c3ccc(NCC4(c5ncccc5F)CCC4)nn3)nc21.
What is the InChIKey of [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?
The InChIKey is RVRPVZIPLGWWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O3S/c22-12-3-1-10-23-18(12)21(8-2-9-21)11-24-16-7-4-13(26-27-16)19-25-17-14(30-20(28)29)5-6-15(17)31-19/h1,3-4,7,10,14H,2,5-6,8-9,11H2,(H,24,27)(H,28,29).
What are the key properties of [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?
[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 has a molecular weight of 441.49 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 121281936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).