[7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C24H25FN4OS — CID 66848196

IUPAC[7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CC3)CC2CNc2ccc(F)cn2)c(-c2ccccc2)s1
InChIInChI=1S/C24H25FN4OS/c1-16-28-21(22(31-16)17-5-3-2-4-6-17)23(30)29-12-11-24(9-10-24)13-19(29)15-27-20-8-7-18(25)14-26-20/h2-8,14,19H,9-13,15H2,1H3,(H,26,27)
InChIKeyOWRUMUDLAYBXAS-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.15
Rot. Bonds5

About [7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 66848196) has the molecular formula C24H25FN4OS and a molecular weight of 436.56 g/mol. Its IUPAC name is [7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID66848196
Molecular FormulaC24H25FN4OS
Molecular Weight436.56 g/mol
Exact Mass436.17
IUPAC Name[7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1nc(C(=O)N2CCC3(CC3)CC2CNc2ccc(F)cn2)c(-c2ccccc2)s1
InChIInChI=1S/C24H25FN4OS/c1-16-28-21(22(31-16)17-5-3-2-4-6-17)23(30)29-12-11-24(9-10-24)13-19(29)15-27-20-8-7-18(25)14-26-20/h2-8,14,19H,9-13,15H2,1H3,(H,26,27)
InChIKeyOWRUMUDLAYBXAS-UHFFFAOYSA-N
XLogP5.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 66848196) is [7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is Cc1nc(C(=O)N2CCC3(CC3)CC2CNc2ccc(F)cn2)c(-c2ccccc2)s1.
What is the InChIKey of [7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is OWRUMUDLAYBXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4OS/c1-16-28-21(22(31-16)17-5-3-2-4-6-17)23(30)29-12-11-24(9-10-24)13-19(29)15-27-20-8-7-18(25)14-26-20/h2-8,14,19H,9-13,15H2,1H3,(H,26,27).
What are the key properties of [7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
[7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 436.56 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[[(5-fluoro-2-pyridinyl)amino]methyl]-6-azaspiro[2.5]octan-6-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 66848196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).