(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C21H24F3N7S — CID 146466920

IUPAC(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1ccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(C(F)(F)F)n1
InChIInChI=1S/C21H24F3N7S/c22-21(23,24)17-13(3-4-16(26)29-17)32-14-12-28-19(31-11-8-27-18(14)31)30-9-6-20(7-10-30)5-1-2-15(20)25/h3-4,8,11-12,15H,1-2,5-7,9-10,25H2,(H2,26,29)/t15-/m1/s1
InChIKeyPZMDBJSHPWBMGE-OAHLLOKOSA-N
MW463.53 g/mol
LogP3.97
Rot. Bonds3

About (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466920) has the molecular formula C21H24F3N7S and a molecular weight of 463.53 g/mol. Its IUPAC name is (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID146466920
Molecular FormulaC21H24F3N7S
Molecular Weight463.53 g/mol
Exact Mass463.18
IUPAC Name(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1ccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(C(F)(F)F)n1
InChIInChI=1S/C21H24F3N7S/c22-21(23,24)17-13(3-4-16(26)29-17)32-14-12-28-19(31-11-8-27-18(14)31)30-9-6-20(7-10-30)5-1-2-15(20)25/h3-4,8,11-12,15H,1-2,5-7,9-10,25H2,(H2,26,29)/t15-/m1/s1
InChIKeyPZMDBJSHPWBMGE-OAHLLOKOSA-N
XLogP3.97
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 146466920) is (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Nc1ccc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(C(F)(F)F)n1.
What is the InChIKey of (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is PZMDBJSHPWBMGE-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24F3N7S/c22-21(23,24)17-13(3-4-16(26)29-17)32-14-12-28-19(31-11-8-27-18(14)31)30-9-6-20(7-10-30)5-1-2-15(20)25/h3-4,8,11-12,15H,1-2,5-7,9-10,25H2,(H2,26,29)/t15-/m1/s1.
What are the key properties of (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 463.53 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).