(3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C23H28N6OS — CID 146466913

IUPAC(3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c4CCC5)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C23H28N6OS/c1-15-20(24)23(14-30-15)6-10-28(11-7-23)22-27-13-19(21-26-9-12-29(21)22)31-18-5-8-25-17-4-2-3-16(17)18/h5,8-9,12-13,15,20H,2-4,6-7,10-11,14,24H2,1H3/t15-,20+/m0/s1
InChIKeyUVSLEXWYQADDRE-MGPUTAFESA-N
MW436.59 g/mol
LogP3.10
Rot. Bonds3

About (3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 146466913) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is (3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[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-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID146466913
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC Name(3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c4CCC5)c4nccn34)CC2)[C@@H]1N
InChIInChI=1S/C23H28N6OS/c1-15-20(24)23(14-30-15)6-10-28(11-7-23)22-27-13-19(21-26-9-12-29(21)22)31-18-5-8-25-17-4-2-3-16(17)18/h5,8-9,12-13,15,20H,2-4,6-7,10-11,14,24H2,1H3/t15-,20+/m0/s1
InChIKeyUVSLEXWYQADDRE-MGPUTAFESA-N
XLogP3.10
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[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-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 146466913) is (3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[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-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[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-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is C[C@@H]1OCC2(CCN(c3ncc(Sc4ccnc5c4CCC5)c4nccn34)CC2)[C@@H]1N.
What is the InChIKey of (3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is UVSLEXWYQADDRE-MGPUTAFESA-N. The full InChI is InChI=1S/C23H28N6OS/c1-15-20(24)23(14-30-15)6-10-28(11-7-23)22-27-13-19(21-26-9-12-29(21)22)31-18-5-8-25-17-4-2-3-16(17)18/h5,8-9,12-13,15,20H,2-4,6-7,10-11,14,24H2,1H3/t15-,20+/m0/s1.
What are the key properties of (3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-8-[8-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 436.59 g/mol, XLogP of 3.10, 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-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-ylsulfanyl)imidazo[1,2-c]pyrimidin-5-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 146466913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).