(3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C24H25FN6OS — CID 146466942

IUPAC(3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5ccc(F)cc45)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C24H25FN6OS/c1-15-21(26)24(14-32-15)5-9-30(10-6-24)23-29-13-20(22-28-8-11-31(22)23)33-19-4-7-27-18-3-2-16(25)12-17(18)19/h2-4,7-8,11-13,15,21H,5-6,9-10,14,26H2,1H3/t15-,21+/m0/s1
InChIKeyAQDJJNFPVOHVSP-YCRPNKLZSA-N
MW464.57 g/mol
LogP3.90
Rot. Bonds3

About (3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466942) has the molecular formula C24H25FN6OS and a molecular weight of 464.57 g/mol. Its IUPAC name is (3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID146466942
Molecular FormulaC24H25FN6OS
Molecular Weight464.57 g/mol
Exact Mass464.18
IUPAC Name(3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5ccc(F)cc45)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C24H25FN6OS/c1-15-21(26)24(14-32-15)5-9-30(10-6-24)23-29-13-20(22-28-8-11-31(22)23)33-19-4-7-27-18-3-2-16(25)12-17(18)19/h2-4,7-8,11-13,15,21H,5-6,9-10,14,26H2,1H3/t15-,21+/m0/s1
InChIKeyAQDJJNFPVOHVSP-YCRPNKLZSA-N
XLogP3.90
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 146466942) is (3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5ccc(F)cc45)c4nccn34)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is AQDJJNFPVOHVSP-YCRPNKLZSA-N. The full InChI is InChI=1S/C24H25FN6OS/c1-15-21(26)24(14-32-15)5-9-30(10-6-24)23-29-13-20(22-28-8-11-31(22)23)33-19-4-7-27-18-3-2-16(25)12-17(18)19/h2-4,7-8,11-13,15,21H,5-6,9-10,14,26H2,1H3/t15-,21+/m0/s1.
What are the key properties of (3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 464.57 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[8-(6-fluoroquinolin-4-yl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).