(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

C22H26F3N7S — CID 146466996

IUPAC(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1Sc1ccc(N)nc1C(F)(F)F
InChIInChI=1S/C22H26F3N7S/c1-13-17(33-14-4-5-16(27)30-18(14)22(23,24)25)19-28-9-12-32(19)20(29-13)31-10-7-21(8-11-31)6-2-3-15(21)26/h4-5,9,12,15H,2-3,6-8,10-11,26H2,1H3,(H2,27,30)/t15-/m1/s1
InChIKeyVWUWMICFMGTBHT-OAHLLOKOSA-N
MW477.56 g/mol
LogP4.28
Rot. Bonds3

About (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466996) has the molecular formula C22H26F3N7S and a molecular weight of 477.56 g/mol. Its IUPAC name is (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[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]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID146466996
Molecular FormulaC22H26F3N7S
Molecular Weight477.56 g/mol
Exact Mass477.19
IUPAC Name(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1Sc1ccc(N)nc1C(F)(F)F
InChIInChI=1S/C22H26F3N7S/c1-13-17(33-14-4-5-16(27)30-18(14)22(23,24)25)19-28-9-12-32(19)20(29-13)31-10-7-21(8-11-31)6-2-3-15(21)26/h4-5,9,12,15H,2-3,6-8,10-11,26H2,1H3,(H2,27,30)/t15-/m1/s1
InChIKeyVWUWMICFMGTBHT-OAHLLOKOSA-N
XLogP4.28
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[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]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 146466996) is (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[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]-7-methylimidazo[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]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)n2ccnc2c1Sc1ccc(N)nc1C(F)(F)F.
What is the InChIKey of (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is VWUWMICFMGTBHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26F3N7S/c1-13-17(33-14-4-5-16(27)30-18(14)22(23,24)25)19-28-9-12-32(19)20(29-13)31-10-7-21(8-11-31)6-2-3-15(21)26/h4-5,9,12,15H,2-3,6-8,10-11,26H2,1H3,(H2,27,30)/t15-/m1/s1.
What are the key properties of (4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 477.56 g/mol, XLogP of 4.28, 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]-7-methylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).