3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide

C20H24Cl2N6OS — CID 155323370

IUPAC3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide
SMILESCc1nc(N2CCC3(CCCC3N)CC2)c(C(N)=O)nc1Sc1ccnc(Cl)c1Cl
InChIInChI=1S/C20H24Cl2N6OS/c1-11-19(30-12-4-8-25-16(22)14(12)21)27-15(17(24)29)18(26-11)28-9-6-20(7-10-28)5-2-3-13(20)23/h4,8,13H,2-3,5-7,9-10,23H2,1H3,(H2,24,29)
InChIKeyPVJCXWQYZLUFGD-UHFFFAOYSA-N
MW467.43 g/mol
LogP3.83
Rot. Bonds4

About 3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide

3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide (PubChem CID 155323370) has the molecular formula C20H24Cl2N6OS and a molecular weight of 467.43 g/mol. Its IUPAC name is 3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide
PubChem CID155323370
Molecular FormulaC20H24Cl2N6OS
Molecular Weight467.43 g/mol
Exact Mass466.11
IUPAC Name3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide
SMILESCc1nc(N2CCC3(CCCC3N)CC2)c(C(N)=O)nc1Sc1ccnc(Cl)c1Cl
InChIInChI=1S/C20H24Cl2N6OS/c1-11-19(30-12-4-8-25-16(22)14(12)21)27-15(17(24)29)18(26-11)28-9-6-20(7-10-28)5-2-3-13(20)23/h4,8,13H,2-3,5-7,9-10,23H2,1H3,(H2,24,29)
InChIKeyPVJCXWQYZLUFGD-UHFFFAOYSA-N
XLogP3.83
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(4R)-8-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 134182942
1-[5-amino-3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-fluoroethanone
CID 166885381
[3-[(2R,4R)-4-amino-2-methoxy-8-azaspiro[4.5]decan-8-yl]-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazin-2-yl]methanol
CID 139309380
5-amino-6-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]-3-[4-(methylamino)-8-azaspiro[4.5]decan-8-yl]pyrazine-2-carboxamide
CID 123827668
1-[1-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-(hydroxymethyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]ethyl carbamate
CID 175367946
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol
CID 155231285
8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123630889
(4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247922
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]methanol
CID 162492945
tert-butyl N-[8-[3-bromo-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-8-azaspiro[4.5]decan-4-ylidene]carbamate
CID 175867789

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of 3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide (CID 155323370) is 3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide is Cc1nc(N2CCC3(CCCC3N)CC2)c(C(N)=O)nc1Sc1ccnc(Cl)c1Cl.
What is the InChIKey of 3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is PVJCXWQYZLUFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N6OS/c1-11-19(30-12-4-8-25-16(22)14(12)21)27-15(17(24)29)18(26-11)28-9-6-20(7-10-28)5-2-3-13(20)23/h4,8,13H,2-3,5-7,9-10,23H2,1H3,(H2,24,29).
What are the key properties of 3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide?
3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 467.43 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-[(2,3-dichloro-4-pyridinyl)sulfanyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 155323370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).