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

C24H23Cl2N7O2S2 — CID 149154548

IUPAC5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide
SMILESN[C@@H]1c2cccnc2CC12CCN(c1cc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3nncn13)CC2
InChIInChI=1S/C24H23Cl2N7O2S2/c25-15-4-1-5-17(20(15)26)36-21-18(37(28,34)35)11-19(33-13-30-31-23(21)33)32-9-6-24(7-10-32)12-16-14(22(24)27)3-2-8-29-16/h1-5,8,11,13,22H,6-7,9-10,12,27H2,(H2,28,34,35)/t22-/m1/s1
InChIKeyRNCRUSYDOFWCJH-JOCHJYFZSA-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)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide

5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide (PubChem CID 149154548) 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)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide.

Molecular Properties

Compound Name5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide
PubChem CID149154548
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)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide
SMILESN[C@@H]1c2cccnc2CC12CCN(c1cc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3nncn13)CC2
InChIInChI=1S/C24H23Cl2N7O2S2/c25-15-4-1-5-17(20(15)26)36-21-18(37(28,34)35)11-19(33-13-30-31-23(21)33)32-9-6-24(7-10-32)12-16-14(22(24)27)3-2-8-29-16/h1-5,8,11,13,22H,6-7,9-10,12,27H2,(H2,28,34,35)/t22-/m1/s1
InChIKeyRNCRUSYDOFWCJH-JOCHJYFZSA-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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Related Compounds

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
(5S)-1'-[7-amino-8-(2,3-dichlorophenyl)imidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-c]pyrimidine-7-carbonitrile;5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[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-carbonitrile;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 165082322
1'-[8-(2,3-dichlorophenyl)-7-methylimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 164743863
(1S)-1'-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146466979
CID 174094851
CID 174094851
5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-carbonitrile;5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[1,5-a]pyridine-7-sulfonamide
CID 165045273
(4S)-8-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 139427459
(11R)-3-[8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-azaspiro[5.5]undecan-11-amine
CID 151600041
(5S)-1'-[5-[(3,5-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 155385247
1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-deuterioimidazo[1,2-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169008421
3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-6-(2,3-dichlorophenyl)sulfanylpyrazine-2-carboxamide
CID 154662934
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-1H-pyrazin-2-one
CID 163362565

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)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide?
The IUPAC name of 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide (CID 149154548) is 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-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)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide?
The canonical SMILES for 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide is N[C@@H]1c2cccnc2CC12CCN(c1cc(S(N)(=O)=O)c(Sc3cccc(Cl)c3Cl)c3nncn13)CC2.
What is the InChIKey of 5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide?
The InChIKey is RNCRUSYDOFWCJH-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23Cl2N7O2S2/c25-15-4-1-5-17(20(15)26)36-21-18(37(28,34)35)11-19(33-13-30-31-23(21)33)32-9-6-24(7-10-32)12-16-14(22(24)27)3-2-8-29-16/h1-5,8,11,13,22H,6-7,9-10,12,27H2,(H2,28,34,35)/t22-/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)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide?
5-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-8-(2,3-dichlorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-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)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide is sourced from PubChem (CID 149154548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).