(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine

C36H46Cl2F2N14S2 — CID 158894675

IUPAC(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine
SMILESNc1nc(N2CCC3(CC2)C[C@@H](F)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)C[C@H](F)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/2C18H23ClFN7S/c2*19-14-11(1-4-24-15(14)22)28-17-16(23)26-13(9-25-17)27-5-2-18(3-6-27)8-10(20)7-12(18)21/h2*1,4,9-10,12H,2-3,5-8,21H2,(H2,22,24)(H2,23,26)/t10-,12+;10-,12-/m01/s1
InChIKeyJERLJRNKWMOXQP-BESGUCPESA-N
MW847.90 g/mol
LogP5.77
Rot. Bonds6

About (2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine

(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine (PubChem CID 158894675) has the molecular formula C36H46Cl2F2N14S2 and a molecular weight of 847.90 g/mol. Its IUPAC name is (2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine
PubChem CID158894675
Molecular FormulaC36H46Cl2F2N14S2
Molecular Weight847.90 g/mol
Exact Mass846.28
IUPAC Name(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine
SMILESNc1nc(N2CCC3(CC2)C[C@@H](F)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)C[C@H](F)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/2C18H23ClFN7S/c2*19-14-11(1-4-24-15(14)22)28-17-16(23)26-13(9-25-17)27-5-2-18(3-6-27)8-10(20)7-12(18)21/h2*1,4,9-10,12H,2-3,5-8,21H2,(H2,22,24)(H2,23,26)/t10-,12+;10-,12-/m01/s1
InChIKeyJERLJRNKWMOXQP-BESGUCPESA-N
XLogP5.77
TPSA239.94 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500847.90
LogP ≤ 55.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze (2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118238414
(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 124146374
US10858359, Example 74
CID 132223029
(5S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
CID 135337362
(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
US10336774, Example 77
CID 118238297
US10336774, Example 91
CID 118247712
US10336774, Example 92
CID 118247725
US10336774, Example 65
CID 118247766
US10336774, Example 67
CID 118247770
(6R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,6-dihydrocyclopenta[b]pyridine-7,4'-piperidine]-6-amine
CID 142433940
(7S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-7-amine
CID 153407986

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine (CID 158894675) is (2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine is Nc1nc(N2CCC3(CC2)C[C@@H](F)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.Nc1nc(N2CCC3(CC2)C[C@H](F)C[C@H]3N)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of (2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine?
The InChIKey is JERLJRNKWMOXQP-BESGUCPESA-N. The full InChI is InChI=1S/2C18H23ClFN7S/c2*19-14-11(1-4-24-15(14)22)28-17-16(23)26-13(9-25-17)27-5-2-18(3-6-27)8-10(20)7-12(18)21/h2*1,4,9-10,12H,2-3,5-8,21H2,(H2,22,24)(H2,23,26)/t10-,12+;10-,12-/m01/s1.
What are the key properties of (2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine?
(2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine has a molecular weight of 847.90 g/mol, XLogP of 5.77, 6 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoro-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 158894675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).