(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine

C21H21Cl2F2N5S — CID 139427650

IUPAC(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CC(F)(F)CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C21H21Cl2F2N5S/c22-13-2-1-3-14(17(13)23)31-15-11-28-19(30-9-6-27-18(15)30)29-7-4-20(5-8-29)12-21(24,25)10-16(20)26/h1-3,6,9,11,16H,4-5,7-8,10,12,26H2/t16-/m1/s1
InChIKeyZJBIHXIBGNHBPR-MRXNPFEDSA-N
MW484.40 g/mol
LogP5.53
Rot. Bonds3

About (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine

(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427650) has the molecular formula C21H21Cl2F2N5S and a molecular weight of 484.40 g/mol. Its IUPAC name is (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
PubChem CID139427650
Molecular FormulaC21H21Cl2F2N5S
Molecular Weight484.40 g/mol
Exact Mass483.09
IUPAC Name(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CC(F)(F)CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C21H21Cl2F2N5S/c22-13-2-1-3-14(17(13)23)31-15-11-28-19(30-9-6-27-18(15)30)29-7-4-20(5-8-29)12-21(24,25)10-16(20)26/h1-3,6,9,11,16H,4-5,7-8,10,12,26H2/t16-/m1/s1
InChIKeyZJBIHXIBGNHBPR-MRXNPFEDSA-N
XLogP5.53
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.40
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine with MolForge

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Related Compounds

(4R)-8-[8-[2-(trifluoromethyl)pyridin-3-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427654
(4R)-8-[8-[3-(trifluoromethyl)pyridin-4-yl]sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-4-amine
CID 139427701
(R)-8-(8-((3-chloro-2-fluoropyridin-4-yl)thio)imidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427716
US11179397, Example 53
CID 146466864
US11179397, Example 51
CID 146466920
(4R)-8-[8-(6-amino-2,3-dichloropyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334931
(4R)-8-[8-(6-amino-3-chloro-2-methylpyridin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 153334932
US11179397, Example 50
CID 146466998
(R)-8-(8-((2-chlorophenyl)thio)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-1-amine
CID 139427229
US11179397, Example 119
CID 139427294
1-(8-((2,3-Dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)piperidin-4-amine
CID 139427307
7-(8-((2,3-Dichlorophenyl)thio)imidazo[1,2-c]pyrimidin-5-yl)-7-azaspiro[3.5]nonan-2-amine
CID 139427308

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine (CID 139427650) is (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CC(F)(F)CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
The InChIKey is ZJBIHXIBGNHBPR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21Cl2F2N5S/c22-13-2-1-3-14(17(13)23)31-15-11-28-19(30-9-6-27-18(15)30)29-7-4-20(5-8-29)12-21(24,25)10-16(20)26/h1-3,6,9,11,16H,4-5,7-8,10,12,26H2/t16-/m1/s1.
What are the key properties of (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine has a molecular weight of 484.40 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).