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

C21H24F3N7S — CID 146466864

IUPAC(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(C(F)(F)F)cn1
InChIInChI=1S/C21H24F3N7S/c22-21(23,24)13-11-28-17(26)10-14(13)32-15-12-29-19(31-9-6-27-18(15)31)30-7-4-20(5-8-30)3-1-2-16(20)25/h6,9-12,16H,1-5,7-8,25H2,(H2,26,28)/t16-/m1/s1
InChIKeyMTIWLNWDIITNMV-MRXNPFEDSA-N
MW463.53 g/mol
LogP3.97
Rot. Bonds3

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

(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466864) has the molecular formula C21H24F3N7S and a molecular weight of 463.53 g/mol. Its IUPAC name is (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID146466864
Molecular FormulaC21H24F3N7S
Molecular Weight463.53 g/mol
Exact Mass463.18
IUPAC Name(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(C(F)(F)F)cn1
InChIInChI=1S/C21H24F3N7S/c22-21(23,24)13-11-28-17(26)10-14(13)32-15-12-29-19(31-9-6-27-18(15)31)30-7-4-20(5-8-30)3-1-2-16(20)25/h6,9-12,16H,1-5,7-8,25H2,(H2,26,28)/t16-/m1/s1
InChIKeyMTIWLNWDIITNMV-MRXNPFEDSA-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-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine with MolForge

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Related Compounds

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CID 118248000
CID 118248000
CID 166961623
CID 166961623
CID 44435635
CID 44435635
CID 44435637
CID 44435637
CID 66546144
CID 66546144
CID 118247913
CID 118247913
CID 135388182
CID 135388182
CID 139344644
CID 139344644
CID 139427650
CID 139427650
CID 139427654
CID 139427654

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 146466864) is (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-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-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Nc1cc(Sc2cnc(N3CCC4(CCC[C@H]4N)CC3)n3ccnc23)c(C(F)(F)F)cn1.
What is the InChIKey of (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is MTIWLNWDIITNMV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24F3N7S/c22-21(23,24)13-11-28-17(26)10-14(13)32-15-12-29-19(31-9-6-27-18(15)31)30-7-4-20(5-8-30)3-1-2-16(20)25/h6,9-12,16H,1-5,7-8,25H2,(H2,26,28)/t16-/m1/s1.
What are the key properties of (4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-[[2-amino-5-(trifluoromethyl)-4-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-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).