[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol

C20H25ClFN5O — CID 149027078

IUPAC[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1ccnc(F)c1Cl
InChIInChI=1S/C20H25ClFN5O/c1-12-17(13-4-8-24-18(22)16(13)21)26-14(11-28)19(25-12)27-9-6-20(7-10-27)5-2-3-15(20)23/h4,8,15,28H,2-3,5-7,9-11,23H2,1H3/t15-/m1/s1
InChIKeyQEPRITSJJUZLGE-OAHLLOKOSA-N
MW405.91 g/mol
LogP3.23
Rot. Bonds3

About [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol

[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol (PubChem CID 149027078) has the molecular formula C20H25ClFN5O and a molecular weight of 405.91 g/mol. Its IUPAC name is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
PubChem CID149027078
Molecular FormulaC20H25ClFN5O
Molecular Weight405.91 g/mol
Exact Mass405.17
IUPAC Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1ccnc(F)c1Cl
InChIInChI=1S/C20H25ClFN5O/c1-12-17(13-4-8-24-18(22)16(13)21)26-14(11-28)19(25-12)27-9-6-20(7-10-27)5-2-3-15(20)23/h4,8,15,28H,2-3,5-7,9-11,23H2,1H3/t15-/m1/s1
InChIKeyQEPRITSJJUZLGE-OAHLLOKOSA-N
XLogP3.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 53.23
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-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The IUPAC name of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol (CID 149027078) is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1ccnc(F)c1Cl.
What is the InChIKey of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The InChIKey is QEPRITSJJUZLGE-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25ClFN5O/c1-12-17(13-4-8-24-18(22)16(13)21)26-14(11-28)19(25-12)27-9-6-20(7-10-27)5-2-3-15(20)23/h4,8,15,28H,2-3,5-7,9-11,23H2,1H3/t15-/m1/s1.
What are the key properties of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol?
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 405.91 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-fluoro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 149027078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).