3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine

C22H21ClN8S — CID 155129621

IUPAC3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3C4)n3ccnc23)c1Cl
InChIInChI=1S/C22H21ClN8S/c23-18-16(1-4-27-19(18)24)32-17-13-29-21(31-10-7-28-20(17)31)30-8-2-22(3-9-30)11-14-15(12-22)26-6-5-25-14/h1,4-7,10,13H,2-3,8-9,11-12H2,(H2,24,27)
InChIKeyFGXDTZNQZREUMM-UHFFFAOYSA-N
MW464.99 g/mol
LogP3.69
Rot. Bonds3

About 3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine

3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine (PubChem CID 155129621) has the molecular formula C22H21ClN8S and a molecular weight of 464.99 g/mol. Its IUPAC name is 3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
PubChem CID155129621
Molecular FormulaC22H21ClN8S
Molecular Weight464.99 g/mol
Exact Mass464.13
IUPAC Name3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3C4)n3ccnc23)c1Cl
InChIInChI=1S/C22H21ClN8S/c23-18-16(1-4-27-19(18)24)32-17-13-29-21(31-10-7-28-20(17)31)30-8-2-22(3-9-30)11-14-15(12-22)26-6-5-25-14/h1,4-7,10,13H,2-3,8-9,11-12H2,(H2,24,27)
InChIKeyFGXDTZNQZREUMM-UHFFFAOYSA-N
XLogP3.69
TPSA98.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.99
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-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 3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine?
The IUPAC name of 3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine (CID 155129621) is 3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine.
What is the SMILES notation for 3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine?
The canonical SMILES for 3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine is Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3nccnc3C4)n3ccnc23)c1Cl.
What is the InChIKey of 3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine?
The InChIKey is FGXDTZNQZREUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN8S/c23-18-16(1-4-27-19(18)24)32-17-13-29-21(31-10-7-28-20(17)31)30-8-2-22(3-9-30)11-14-15(12-22)26-6-5-25-14/h1,4-7,10,13H,2-3,8-9,11-12H2,(H2,24,27).
What are the key properties of 3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine?
3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine has a molecular weight of 464.99 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine is sourced from PubChem (CID 155129621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).