[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol

C19H23Cl2N5O — CID 155231285

IUPAC[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol
SMILESNC1CCCC12CCN(c1ncc(-c3ccnc(Cl)c3Cl)nc1CO)CC2
InChIInChI=1S/C19H23Cl2N5O/c20-16-12(3-7-23-17(16)21)13-10-24-18(14(11-27)25-13)26-8-5-19(6-9-26)4-1-2-15(19)22/h3,7,10,15,27H,1-2,4-6,8-9,11,22H2
InChIKeyHSLSZACYMZYPEX-UHFFFAOYSA-N
MW408.33 g/mol
LogP3.44
Rot. Bonds3

About [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol

[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol (PubChem CID 155231285) has the molecular formula C19H23Cl2N5O and a molecular weight of 408.33 g/mol. Its IUPAC name is [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol
PubChem CID155231285
Molecular FormulaC19H23Cl2N5O
Molecular Weight408.33 g/mol
Exact Mass407.13
IUPAC Name[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol
SMILESNC1CCCC12CCN(c1ncc(-c3ccnc(Cl)c3Cl)nc1CO)CC2
InChIInChI=1S/C19H23Cl2N5O/c20-16-12(3-7-23-17(16)21)13-10-24-18(14(11-27)25-13)26-8-5-19(6-9-26)4-1-2-15(19)22/h3,7,10,15,27H,1-2,4-6,8-9,11,22H2
InChIKeyHSLSZACYMZYPEX-UHFFFAOYSA-N
XLogP3.44
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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)pyrazin-2-yl]methanol?
The IUPAC name of [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol (CID 155231285) is [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol.
What is the SMILES notation for [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol?
The canonical SMILES for [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol is NC1CCCC12CCN(c1ncc(-c3ccnc(Cl)c3Cl)nc1CO)CC2.
What is the InChIKey of [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol?
The InChIKey is HSLSZACYMZYPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5O/c20-16-12(3-7-23-17(16)21)13-10-24-18(14(11-27)25-13)26-8-5-19(6-9-26)4-1-2-15(19)22/h3,7,10,15,27H,1-2,4-6,8-9,11,22H2.
What are the key properties of [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol?
[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol has a molecular weight of 408.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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)pyrazin-2-yl]methanol is sourced from PubChem (CID 155231285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).