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

C23H27F3N6S — CID 164743746

IUPAC(2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CC2)C[C@@H](C)C[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C23H27F3N6S/c1-14-12-17(27)22(13-14)5-9-31(10-6-22)21-30-15(2)18(20-29-8-11-32(20)21)33-16-4-3-7-28-19(16)23(24,25)26/h3-4,7-8,11,14,17H,5-6,9-10,12-13,27H2,1-2H3/t14-,17+/m0/s1
InChIKeyRQVYVPLGEFWQLF-WMLDXEAASA-N
MW476.57 g/mol
LogP4.95
Rot. Bonds3

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

(2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 164743746) has the molecular formula C23H27F3N6S and a molecular weight of 476.57 g/mol. Its IUPAC name is (2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID164743746
Molecular FormulaC23H27F3N6S
Molecular Weight476.57 g/mol
Exact Mass476.20
IUPAC Name(2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCc1nc(N2CCC3(CC2)C[C@@H](C)C[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C23H27F3N6S/c1-14-12-17(27)22(13-14)5-9-31(10-6-22)21-30-15(2)18(20-29-8-11-32(20)21)33-16-4-3-7-28-19(16)23(24,25)26/h3-4,7-8,11,14,17H,5-6,9-10,12-13,27H2,1-2H3/t14-,17+/m0/s1
InChIKeyRQVYVPLGEFWQLF-WMLDXEAASA-N
XLogP4.95
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,4R)-2-methyl-8-[7-methyl-8-[[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 (2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine (CID 164743746) is (2R,4R)-2-methyl-8-[7-methyl-8-[[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 (2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is Cc1nc(N2CCC3(CC2)C[C@@H](C)C[C@H]3N)n2ccnc2c1Sc1cccnc1C(F)(F)F.
What is the InChIKey of (2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is RQVYVPLGEFWQLF-WMLDXEAASA-N. The full InChI is InChI=1S/C23H27F3N6S/c1-14-12-17(27)22(13-14)5-9-31(10-6-22)21-30-15(2)18(20-29-8-11-32(20)21)33-16-4-3-7-28-19(16)23(24,25)26/h3-4,7-8,11,14,17H,5-6,9-10,12-13,27H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of (2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine?
(2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 476.57 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-methyl-8-[7-methyl-8-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 164743746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).