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

C24H26N6S — CID 139427658

IUPAC(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc4ccccc34)c3nccn13)CC2
InChIInChI=1S/C24H26N6S/c25-21-6-3-8-24(21)9-13-29(14-10-24)23-28-16-20(22-27-12-15-30(22)23)31-19-7-11-26-18-5-2-1-4-17(18)19/h1-2,4-5,7,11-12,15-16,21H,3,6,8-10,13-14,25H2/t21-/m1/s1
InChIKeyTYFYPIKZKUQFCS-OAQYLSRUSA-N
MW430.58 g/mol
LogP4.53
Rot. Bonds3

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

(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (PubChem CID 139427658) has the molecular formula C24H26N6S and a molecular weight of 430.58 g/mol. Its IUPAC name is (4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
PubChem CID139427658
Molecular FormulaC24H26N6S
Molecular Weight430.58 g/mol
Exact Mass430.19
IUPAC Name(4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine
SMILESN[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc4ccccc34)c3nccn13)CC2
InChIInChI=1S/C24H26N6S/c25-21-6-3-8-24(21)9-13-29(14-10-24)23-28-16-20(22-27-12-15-30(22)23)31-19-7-11-26-18-5-2-1-4-17(18)19/h1-2,4-5,7,11-12,15-16,21H,3,6,8-10,13-14,25H2/t21-/m1/s1
InChIKeyTYFYPIKZKUQFCS-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-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine (CID 139427658) is (4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is N[C@@H]1CCCC12CCN(c1ncc(Sc3ccnc4ccccc34)c3nccn13)CC2.
What is the InChIKey of (4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
The InChIKey is TYFYPIKZKUQFCS-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N6S/c25-21-6-3-8-24(21)9-13-29(14-10-24)23-28-16-20(22-27-12-15-30(22)23)31-19-7-11-26-18-5-2-1-4-17(18)19/h1-2,4-5,7,11-12,15-16,21H,3,6,8-10,13-14,25H2/t21-/m1/s1.
What are the key properties of (4R)-8-(8-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine?
(4R)-8-(8-quinolin-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-quinolin-4-ylsulfanylimidazo[1,2-c]pyrimidin-5-yl)-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 139427658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).