(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine

C22H22ClN9S — CID 155124709

IUPAC(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cccnc3[C@H]4N)n3cnnc23)c1Cl
InChIInChI=1S/C22H22ClN9S/c23-16-14(3-7-27-19(16)25)33-15-11-28-21(32-12-29-30-20(15)32)31-8-4-22(5-9-31)10-13-2-1-6-26-17(13)18(22)24/h1-3,6-7,11-12,18H,4-5,8-10,24H2,(H2,25,27)/t18-/m1/s1
InChIKeyKNJXKOPJJNKCRG-GOSISDBHSA-N
MW480.00 g/mol
LogP3.14
Rot. Bonds3

About (7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine

(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine (PubChem CID 155124709) has the molecular formula C22H22ClN9S and a molecular weight of 480.00 g/mol. Its IUPAC name is (7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine.

Molecular Properties

Compound Name(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine
PubChem CID155124709
Molecular FormulaC22H22ClN9S
Molecular Weight480.00 g/mol
Exact Mass479.14
IUPAC Name(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine
SMILESNc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cccnc3[C@H]4N)n3cnnc23)c1Cl
InChIInChI=1S/C22H22ClN9S/c23-16-14(3-7-27-19(16)25)33-15-11-28-21(32-12-29-30-20(15)32)31-8-4-22(5-9-31)10-13-2-1-6-26-17(13)18(22)24/h1-3,6-7,11-12,18H,4-5,8-10,24H2,(H2,25,27)/t18-/m1/s1
InChIKeyKNJXKOPJJNKCRG-GOSISDBHSA-N
XLogP3.14
TPSA124.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.00
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-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 (7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
The IUPAC name of (7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine (CID 155124709) is (7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine.
What is the SMILES notation for (7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
The canonical SMILES for (7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine is Nc1nccc(Sc2cnc(N3CCC4(CC3)Cc3cccnc3[C@H]4N)n3cnnc23)c1Cl.
What is the InChIKey of (7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
The InChIKey is KNJXKOPJJNKCRG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22ClN9S/c23-16-14(3-7-27-19(16)25)33-15-11-28-21(32-12-29-30-20(15)32)31-8-4-22(5-9-31)10-13-2-1-6-26-17(13)18(22)24/h1-3,6-7,11-12,18H,4-5,8-10,24H2,(H2,25,27)/t18-/m1/s1.
What are the key properties of (7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine?
(7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine has a molecular weight of 480.00 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine is sourced from PubChem (CID 155124709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).