[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

C22H23FN6O2S — CID 67453653

IUPAC[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)s1)N1CCOCC1
InChIInChI=1S/C22H23FN6O2S/c23-15-3-1-8-24-19(15)22(6-2-7-22)14-26-18-5-4-16(27-28-18)20-25-13-17(32-20)21(30)29-9-11-31-12-10-29/h1,3-5,8,13H,2,6-7,9-12,14H2,(H,26,28)
InChIKeyJCWAMEPYRBROIO-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.14
Rot. Bonds6

About [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 67453653) has the molecular formula C22H23FN6O2S and a molecular weight of 454.53 g/mol. Its IUPAC name is [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
PubChem CID67453653
Molecular FormulaC22H23FN6O2S
Molecular Weight454.53 g/mol
Exact Mass454.16
IUPAC Name[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)s1)N1CCOCC1
InChIInChI=1S/C22H23FN6O2S/c23-15-3-1-8-24-19(15)22(6-2-7-22)14-26-18-5-4-16(27-28-18)20-25-13-17(32-20)21(30)29-9-11-31-12-10-29/h1,3-5,8,13H,2,6-7,9-12,14H2,(H,26,28)
InChIKeyJCWAMEPYRBROIO-UHFFFAOYSA-N
XLogP3.14
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
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
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-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 77432036
amino-[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,2-oxazol-3-yl]methanol
CID 131981877
methyl 2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1-methylimidazole-4-carboxylate
CID 67453912
ethyl 2-[[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 88899815
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-oxazol-4-yl] methyl carbonate
CID 121281412
tert-butyl N-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-N-[6-[5-(isocyanomethyl)-1,3-thiazol-2-yl]pyridazin-3-yl]carbamate;2-[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]acetamide
CID 159777484
amino-[3-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1H-pyrazol-5-yl]methanol
CID 123726192
[1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl-[6-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyridazin-3-yl]carbamic acid
CID 67453855
[2-[[5-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]thiophen-2-yl]methylamino]-2-oxoethyl] 2-(2-aminopropanoylamino)propanoate
CID 77431933

Frequently Asked Questions

What is the IUPAC name of [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (CID 67453653) is [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is O=C(c1cnc(-c2ccc(NCC3(c4ncccc4F)CCC3)nn2)s1)N1CCOCC1.
What is the InChIKey of [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is JCWAMEPYRBROIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O2S/c23-15-3-1-8-24-19(15)22(6-2-7-22)14-26-18-5-4-16(27-28-18)20-25-13-17(32-20)21(30)29-9-11-31-12-10-29/h1,3-5,8,13H,2,6-7,9-12,14H2,(H,26,28).
What are the key properties of [2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
[2-[6-[[1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 454.53 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 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]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 67453653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).