tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate

C24H27F3N6O2 — CID 139344310

IUPACtert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)C1
InChIInChI=1S/C24H27F3N6O2/c1-22(2,3)35-21(34)32-14-23(15-32)8-4-10-31(13-23)19-7-9-28-20(30-19)17-11-29-18-6-5-16(12-33(17)18)24(25,26)27/h5-7,9,11-12H,4,8,10,13-15H2,1-3H3
InChIKeyJUKWGZMXHVATAS-UHFFFAOYSA-N
MW488.51 g/mol
LogP4.65
Rot. Bonds2

About tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate

tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 139344310) has the molecular formula C24H27F3N6O2 and a molecular weight of 488.51 g/mol. Its IUPAC name is tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID139344310
Molecular FormulaC24H27F3N6O2
Molecular Weight488.51 g/mol
Exact Mass488.21
IUPAC Nametert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)C1
InChIInChI=1S/C24H27F3N6O2/c1-22(2,3)35-21(34)32-14-23(15-32)8-4-10-31(13-23)19-7-9-28-20(30-19)17-11-29-18-6-5-16(12-33(17)18)24(25,26)27/h5-7,9,11-12H,4,8,10,13-15H2,1-3H3
InChIKeyJUKWGZMXHVATAS-UHFFFAOYSA-N
XLogP4.65
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate (CID 139344310) is tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)C1.
What is the InChIKey of tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is JUKWGZMXHVATAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O2/c1-22(2,3)35-21(34)32-14-23(15-32)8-4-10-31(13-23)19-7-9-28-20(30-19)17-11-29-18-6-5-16(12-33(17)18)24(25,26)27/h5-7,9,11-12H,4,8,10,13-15H2,1-3H3.
What are the key properties of tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate?
tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 488.51 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 139344310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).