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

C24H23ClN8S — CID 146485511

IUPAC(5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESNc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4ncccc4[C@H]5N)cnc3n2)c1Cl
InChIInChI=1S/C24H23ClN8S/c25-20-17(5-9-29-22(20)27)34-19-4-3-15-23(32-19)30-13-18(31-15)33-10-6-24(7-11-33)12-16-14(21(24)26)2-1-8-28-16/h1-5,8-9,13,21H,6-7,10-12,26H2,(H2,27,29)/t21-/m1/s1
InChIKeyBWQAQACZKDLJAW-OAQYLSRUSA-N
MW491.02 g/mol
LogP4.04
Rot. Bonds3

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

(5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 146485511) has the molecular formula C24H23ClN8S and a molecular weight of 491.02 g/mol. Its IUPAC name is (5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name(5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID146485511
Molecular FormulaC24H23ClN8S
Molecular Weight491.02 g/mol
Exact Mass490.15
IUPAC Name(5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESNc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4ncccc4[C@H]5N)cnc3n2)c1Cl
InChIInChI=1S/C24H23ClN8S/c25-20-17(5-9-29-22(20)27)34-19-4-3-15-23(32-19)30-13-18(31-15)33-10-6-24(7-11-33)12-16-14(21(24)26)2-1-8-28-16/h1-5,8-9,13,21H,6-7,10-12,26H2,(H2,27,29)/t21-/m1/s1
InChIKeyBWQAQACZKDLJAW-OAQYLSRUSA-N
XLogP4.04
TPSA119.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.02
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of (5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 146485511) is (5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for (5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for (5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4ncccc4[C@H]5N)cnc3n2)c1Cl.
What is the InChIKey of (5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is BWQAQACZKDLJAW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23ClN8S/c25-20-17(5-9-29-22(20)27)34-19-4-3-15-23(32-19)30-13-18(31-15)33-10-6-24(7-11-33)12-16-14(21(24)26)2-1-8-28-16/h1-5,8-9,13,21H,6-7,10-12,26H2,(H2,27,29)/t21-/m1/s1.
What are the key properties of (5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
(5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 491.02 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 146485511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).