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

C19H25ClN6OS — CID 118247922

IUPAC(4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCOc1nccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl
InChIInChI=1S/C19H25ClN6OS/c1-27-17-15(20)12(4-8-23-17)28-18-16(22)25-14(11-24-18)26-9-6-19(7-10-26)5-2-3-13(19)21/h4,8,11,13H,2-3,5-7,9-10,21H2,1H3,(H2,22,25)/t13-/m1/s1
InChIKeyBVMGFHBKWCPQQH-CYBMUJFWSA-N
MW420.97 g/mol
LogP3.36
Rot. Bonds4

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

(4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (PubChem CID 118247922) has the molecular formula C19H25ClN6OS and a molecular weight of 420.97 g/mol. Its IUPAC name is (4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
PubChem CID118247922
Molecular FormulaC19H25ClN6OS
Molecular Weight420.97 g/mol
Exact Mass420.15
IUPAC Name(4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
SMILESCOc1nccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl
InChIInChI=1S/C19H25ClN6OS/c1-27-17-15(20)12(4-8-23-17)28-18-16(22)25-14(11-24-18)26-9-6-19(7-10-26)5-2-3-13(19)21/h4,8,11,13H,2-3,5-7,9-10,21H2,1H3,(H2,22,25)/t13-/m1/s1
InChIKeyBVMGFHBKWCPQQH-CYBMUJFWSA-N
XLogP3.36
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.97
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine (CID 118247922) is (4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is COc1nccc(Sc2ncc(N3CCC4(CCC[C@H]4N)CC3)nc2N)c1Cl.
What is the InChIKey of (4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
The InChIKey is BVMGFHBKWCPQQH-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25ClN6OS/c1-27-17-15(20)12(4-8-23-17)28-18-16(22)25-14(11-24-18)26-9-6-19(7-10-26)5-2-3-13(19)21/h4,8,11,13H,2-3,5-7,9-10,21H2,1H3,(H2,22,25)/t13-/m1/s1.
What are the key properties of (4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine?
(4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine has a molecular weight of 420.97 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 118247922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).