6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C23H21F3N6O2 — CID 118198928

IUPAC6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCNC3(CC3)C2)c(-c2cncnc2)c1
InChIInChI=1S/C23H21F3N6O2/c24-23(25,26)34-18-3-1-17(2-4-18)31-21(33)15-9-19(16-10-27-14-28-11-16)20(29-12-15)32-8-7-30-22(13-32)5-6-22/h1-4,9-12,14,30H,5-8,13H2,(H,31,33)
InChIKeyYSAZBHGEIUHZHE-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.63
Rot. Bonds5

About 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118198928) has the molecular formula C23H21F3N6O2 and a molecular weight of 470.46 g/mol. Its IUPAC name is 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118198928
Molecular FormulaC23H21F3N6O2
Molecular Weight470.46 g/mol
Exact Mass470.17
IUPAC Name6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCNC3(CC3)C2)c(-c2cncnc2)c1
InChIInChI=1S/C23H21F3N6O2/c24-23(25,26)34-18-3-1-17(2-4-18)31-21(33)15-9-19(16-10-27-14-28-11-16)20(29-12-15)32-8-7-30-22(13-32)5-6-22/h1-4,9-12,14,30H,5-8,13H2,(H,31,33)
InChIKeyYSAZBHGEIUHZHE-UHFFFAOYSA-N
XLogP3.63
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118198928) is 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCNC3(CC3)C2)c(-c2cncnc2)c1.
What is the InChIKey of 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is YSAZBHGEIUHZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O2/c24-23(25,26)34-18-3-1-17(2-4-18)31-21(33)15-9-19(16-10-27-14-28-11-16)20(29-12-15)32-8-7-30-22(13-32)5-6-22/h1-4,9-12,14,30H,5-8,13H2,(H,31,33).
What are the key properties of 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 470.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,7-diazaspiro[2.5]octan-7-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118198928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).