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

C18H24ClN7S — CID 118247760

IUPAC(4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1cc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c(Cl)cn1
InChIInChI=1S/C18H24ClN7S/c19-11-9-23-14(21)8-12(11)27-17-16(22)25-15(10-24-17)26-6-4-18(5-7-26)3-1-2-13(18)20/h8-10,13H,1-7,20H2,(H2,21,23)(H2,22,25)/t13-/m1/s1
InChIKeyHADIVMZJFBUZNN-CYBMUJFWSA-N
MW405.96 g/mol
LogP2.94
Rot. Bonds3

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

(4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 118247760) has the molecular formula C18H24ClN7S and a molecular weight of 405.96 g/mol. Its IUPAC name is (4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID118247760
Molecular FormulaC18H24ClN7S
Molecular Weight405.96 g/mol
Exact Mass405.15
IUPAC Name(4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESNc1cc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c(Cl)cn1
InChIInChI=1S/C18H24ClN7S/c19-11-9-23-14(21)8-12(11)27-17-16(22)25-15(10-24-17)26-6-4-18(5-7-26)3-1-2-13(18)20/h8-10,13H,1-7,20H2,(H2,21,23)(H2,22,25)/t13-/m1/s1
InChIKeyHADIVMZJFBUZNN-CYBMUJFWSA-N
XLogP2.94
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.96
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (CID 118247760) is (4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is Nc1cc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c(Cl)cn1.
What is the InChIKey of (4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is HADIVMZJFBUZNN-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24ClN7S/c19-11-9-23-14(21)8-12(11)27-17-16(22)25-15(10-24-17)26-6-4-18(5-7-26)3-1-2-13(18)20/h8-10,13H,1-7,20H2,(H2,21,23)(H2,22,25)/t13-/m1/s1.
What are the key properties of (4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 405.96 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[6-amino-5-[(2-amino-5-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 118247760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).