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

C21H26ClFN4O — CID 147066044

IUPAC[6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CCC[C@H]3C)CC2)c(CO)nc1-c1ccnc(F)c1Cl
InChIInChI=1S/C21H26ClFN4O/c1-13-4-3-6-21(13)7-10-27(11-8-21)20-16(12-28)26-18(14(2)25-20)15-5-9-24-19(23)17(15)22/h5,9,13,28H,3-4,6-8,10-12H2,1-2H3/t13-/m1/s1
InChIKeyBECMOHBEXVKCTH-CYBMUJFWSA-N
MW404.92 g/mol
LogP4.54
Rot. Bonds3

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

[6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol (PubChem CID 147066044) has the molecular formula C21H26ClFN4O and a molecular weight of 404.92 g/mol. Its IUPAC name is [6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
PubChem CID147066044
Molecular FormulaC21H26ClFN4O
Molecular Weight404.92 g/mol
Exact Mass404.18
IUPAC Name[6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CCC[C@H]3C)CC2)c(CO)nc1-c1ccnc(F)c1Cl
InChIInChI=1S/C21H26ClFN4O/c1-13-4-3-6-21(13)7-10-27(11-8-21)20-16(12-28)26-18(14(2)25-20)15-5-9-24-19(23)17(15)22/h5,9,13,28H,3-4,6-8,10-12H2,1-2H3/t13-/m1/s1
InChIKeyBECMOHBEXVKCTH-CYBMUJFWSA-N
XLogP4.54
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol (CID 147066044) is [6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol is Cc1nc(N2CCC3(CCC[C@H]3C)CC2)c(CO)nc1-c1ccnc(F)c1Cl.
What is the InChIKey of [6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The InChIKey is BECMOHBEXVKCTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H26ClFN4O/c1-13-4-3-6-21(13)7-10-27(11-8-21)20-16(12-28)26-18(14(2)25-20)15-5-9-24-19(23)17(15)22/h5,9,13,28H,3-4,6-8,10-12H2,1-2H3/t13-/m1/s1.
What are the key properties of [6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
[6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol has a molecular weight of 404.92 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-2-fluoro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 147066044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).