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

C21H23ClN8S — CID 155385218

IUPAC(7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine
SMILESNc1nc(N2CCC3(CC2)Cc2ccncc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C21H23ClN8S/c22-16-14(2-6-27-18(16)24)31-20-19(25)29-15(11-28-20)30-7-3-21(4-8-30)9-12-1-5-26-10-13(12)17(21)23/h1-2,5-6,10-11,17H,3-4,7-9,23H2,(H2,24,27)(H2,25,29)/t17-/m1/s1
InChIKeyKCWOIBDNAYKHIF-QGZVFWFLSA-N
MW454.99 g/mol
LogP3.08
Rot. Bonds3

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

(7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine (PubChem CID 155385218) has the molecular formula C21H23ClN8S and a molecular weight of 454.99 g/mol. Its IUPAC name is (7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine.

Molecular Properties

Compound Name(7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine
PubChem CID155385218
Molecular FormulaC21H23ClN8S
Molecular Weight454.99 g/mol
Exact Mass454.15
IUPAC Name(7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine
SMILESNc1nc(N2CCC3(CC2)Cc2ccncc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C21H23ClN8S/c22-16-14(2-6-27-18(16)24)31-20-19(25)29-15(11-28-20)30-7-3-21(4-8-30)9-12-1-5-26-10-13(12)17(21)23/h1-2,5-6,10-11,17H,3-4,7-9,23H2,(H2,24,27)(H2,25,29)/t17-/m1/s1
InChIKeyKCWOIBDNAYKHIF-QGZVFWFLSA-N
XLogP3.08
TPSA132.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.99
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine?
The IUPAC name of (7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine (CID 155385218) is (7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine.
What is the SMILES notation for (7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine?
The canonical SMILES for (7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine is Nc1nc(N2CCC3(CC2)Cc2ccncc2[C@H]3N)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of (7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine?
The InChIKey is KCWOIBDNAYKHIF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23ClN8S/c22-16-14(2-6-27-18(16)24)31-20-19(25)29-15(11-28-20)30-7-3-21(4-8-30)9-12-1-5-26-10-13(12)17(21)23/h1-2,5-6,10-11,17H,3-4,7-9,23H2,(H2,24,27)(H2,25,29)/t17-/m1/s1.
What are the key properties of (7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine?
(7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine has a molecular weight of 454.99 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-7-amine is sourced from PubChem (CID 155385218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).