(4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine

C24H26N6S — CID 146466953

IUPAC(4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3cncc4ccccc34)c3nccn13)CC2
InChIInChI=1S/C24H26N6S/c25-21-6-3-7-24(21)8-11-29(12-9-24)23-28-16-20(22-27-10-13-30(22)23)31-19-15-26-14-17-4-1-2-5-18(17)19/h1-2,4-5,10,13-16,21H,3,6-9,11-12,25H2/t21-/m1/s1
InChIKeyIUTZTVDMDLLHGC-OAQYLSRUSA-N
MW430.58 g/mol
LogP4.53
Rot. Bonds3

About (4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine

(4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466953) has the molecular formula C24H26N6S and a molecular weight of 430.58 g/mol. Its IUPAC name is (4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
PubChem CID146466953
Molecular FormulaC24H26N6S
Molecular Weight430.58 g/mol
Exact Mass430.19
IUPAC Name(4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3cncc4ccccc34)c3nccn13)CC2
InChIInChI=1S/C24H26N6S/c25-21-6-3-7-24(21)8-11-29(12-9-24)23-28-16-20(22-27-10-13-30(22)23)31-19-15-26-14-17-4-1-2-5-18(17)19/h1-2,4-5,10,13-16,21H,3,6-9,11-12,25H2/t21-/m1/s1
InChIKeyIUTZTVDMDLLHGC-OAQYLSRUSA-N
XLogP4.53
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (CID 146466953) is (4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCCC12CCN(c1ncc(Sc3cncc4ccccc34)c3nccn13)CC2.
What is the InChIKey of (4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The InChIKey is IUTZTVDMDLLHGC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N6S/c25-21-6-3-7-24(21)8-11-29(12-9-24)23-28-16-20(22-27-10-13-30(22)23)31-19-15-26-14-17-4-1-2-5-18(17)19/h1-2,4-5,10,13-16,21H,3,6-9,11-12,25H2/t21-/m1/s1.
What are the key properties of (4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
(4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine has a molecular weight of 430.58 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-(8-isoquinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).