N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide

C25H23FN6O2S — CID 162688268

IUPACN-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC4(CC3)CNC4=O)nc2-c2cccc(C#N)c2)c(F)c(C)n1
InChIInChI=1S/C25H23FN6O2S/c1-14-10-18(19(26)15(2)29-14)21-20(17-5-3-4-16(11-17)12-27)30-23(35-21)31-24(34)32-8-6-25(7-9-32)13-28-22(25)33/h3-5,10-11H,6-9,13H2,1-2H3,(H,28,33)(H,30,31,34)
InChIKeyFOAUEWYVUYEXRD-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.24
Rot. Bonds3

About N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 162688268) has the molecular formula C25H23FN6O2S and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID162688268
Molecular FormulaC25H23FN6O2S
Molecular Weight490.56 g/mol
Exact Mass490.16
IUPAC NameN-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC4(CC3)CNC4=O)nc2-c2cccc(C#N)c2)c(F)c(C)n1
InChIInChI=1S/C25H23FN6O2S/c1-14-10-18(19(26)15(2)29-14)21-20(17-5-3-4-16(11-17)12-27)30-23(35-21)31-24(34)32-8-6-25(7-9-32)13-28-22(25)33/h3-5,10-11H,6-9,13H2,1-2H3,(H,28,33)(H,30,31,34)
InChIKeyFOAUEWYVUYEXRD-UHFFFAOYSA-N
XLogP4.24
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 162688268) is N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide is Cc1cc(-c2sc(NC(=O)N3CCC4(CC3)CNC4=O)nc2-c2cccc(C#N)c2)c(F)c(C)n1.
What is the InChIKey of N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is FOAUEWYVUYEXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2S/c1-14-10-18(19(26)15(2)29-14)21-20(17-5-3-4-16(11-17)12-27)30-23(35-21)31-24(34)32-8-6-25(7-9-32)13-28-22(25)33/h3-5,10-11H,6-9,13H2,1-2H3,(H,28,33)(H,30,31,34).
What are the key properties of N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide?
N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanophenyl)-5-(3-fluoro-2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-3-oxo-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 162688268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).