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

C20H24Cl2N4O — CID 138553083

IUPAC[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol
SMILESN[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)nc1CO)CC2
InChIInChI=1S/C20H24Cl2N4O/c21-14-4-1-3-13(18(14)22)15-11-24-19(16(12-27)25-15)26-9-7-20(8-10-26)6-2-5-17(20)23/h1,3-4,11,17,27H,2,5-10,12,23H2/t17-/m1/s1
InChIKeyGXBNLFAOIREUSN-QGZVFWFLSA-N
MW407.35 g/mol
LogP4.04
Rot. Bonds3

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

[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol (PubChem CID 138553083) has the molecular formula C20H24Cl2N4O and a molecular weight of 407.35 g/mol. Its IUPAC name is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol
PubChem CID138553083
Molecular FormulaC20H24Cl2N4O
Molecular Weight407.35 g/mol
Exact Mass406.13
IUPAC Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol
SMILESN[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)nc1CO)CC2
InChIInChI=1S/C20H24Cl2N4O/c21-14-4-1-3-13(18(14)22)15-11-24-19(16(12-27)25-15)26-9-7-20(8-10-26)6-2-5-17(20)23/h1,3-4,11,17,27H,2,5-10,12,23H2/t17-/m1/s1
InChIKeyGXBNLFAOIREUSN-QGZVFWFLSA-N
XLogP4.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol?
The IUPAC name of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol (CID 138553083) is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol?
The canonical SMILES for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol is N[C@@H]1CCCC12CCN(c1ncc(-c3cccc(Cl)c3Cl)nc1CO)CC2.
What is the InChIKey of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol?
The InChIKey is GXBNLFAOIREUSN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24Cl2N4O/c21-14-4-1-3-13(18(14)22)15-11-24-19(16(12-27)25-15)26-9-7-20(8-10-26)6-2-5-17(20)23/h1,3-4,11,17,27H,2,5-10,12,23H2/t17-/m1/s1.
What are the key properties of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol?
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol has a molecular weight of 407.35 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)pyrazin-2-yl]methanol is sourced from PubChem (CID 138553083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).