5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide

C24H23Cl2N7O2S2 — CID 164743766

IUPAC5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide
SMILESN[C@@H]1c2cccnc2CC12CCN(c1nc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C24H23Cl2N7O2S2/c25-15-4-1-5-17(18(15)26)36-19-21-30-9-12-33(21)23(31-22(19)37(28,34)35)32-10-6-24(7-11-32)13-16-14(20(24)27)3-2-8-29-16/h1-5,8-9,12,20H,6-7,10-11,13,27H2,(H2,28,34,35)/t20-/m1/s1
InChIKeySAMKJAGSARUCAV-HXUWFJFHSA-N
MW576.54 g/mol
LogP4.07
Rot. Bonds4

About 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide

5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide (PubChem CID 164743766) has the molecular formula C24H23Cl2N7O2S2 and a molecular weight of 576.54 g/mol. Its IUPAC name is 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide.

Molecular Properties

Compound Name5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide
PubChem CID164743766
Molecular FormulaC24H23Cl2N7O2S2
Molecular Weight576.54 g/mol
Exact Mass575.07
IUPAC Name5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide
SMILESN[C@@H]1c2cccnc2CC12CCN(c1nc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3nccn13)CC2
InChIInChI=1S/C24H23Cl2N7O2S2/c25-15-4-1-5-17(18(15)26)36-19-21-30-9-12-33(21)23(31-22(19)37(28,34)35)32-10-6-24(7-11-32)13-16-14(20(24)27)3-2-8-29-16/h1-5,8-9,12,20H,6-7,10-11,13,27H2,(H2,28,34,35)/t20-/m1/s1
InChIKeySAMKJAGSARUCAV-HXUWFJFHSA-N
XLogP4.07
TPSA132.50 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.54
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide?
The IUPAC name of 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide (CID 164743766) is 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide.
What is the SMILES notation for 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide?
The canonical SMILES for 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide is N[C@@H]1c2cccnc2CC12CCN(c1nc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.
What is the InChIKey of 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide?
The InChIKey is SAMKJAGSARUCAV-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H23Cl2N7O2S2/c25-15-4-1-5-17(18(15)26)36-19-21-30-9-12-33(21)23(31-22(19)37(28,34)35)32-10-6-24(7-11-32)13-16-14(20(24)27)3-2-8-29-16/h1-5,8-9,12,20H,6-7,10-11,13,27H2,(H2,28,34,35)/t20-/m1/s1.
What are the key properties of 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide?
5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide has a molecular weight of 576.54 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidine-7-sulfonamide is sourced from PubChem (CID 164743766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).