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

C21H28ClN5O2 — CID 138735042

IUPAC[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol
SMILESCOc1nc(Cl)ccc1-c1nc(CO)c(N2CCC3(CCCC3N)CC2)nc1C
InChIInChI=1S/C21H28ClN5O2/c1-13-18(14-5-6-17(22)26-20(14)29-2)25-15(12-28)19(24-13)27-10-8-21(9-11-27)7-3-4-16(21)23/h5-6,16,28H,3-4,7-12,23H2,1-2H3
InChIKeyZMMYQUTZFXIJDB-UHFFFAOYSA-N
MW417.94 g/mol
LogP3.10
Rot. Bonds4

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

[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol (PubChem CID 138735042) has the molecular formula C21H28ClN5O2 and a molecular weight of 417.94 g/mol. Its IUPAC name is [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol
PubChem CID138735042
Molecular FormulaC21H28ClN5O2
Molecular Weight417.94 g/mol
Exact Mass417.19
IUPAC Name[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol
SMILESCOc1nc(Cl)ccc1-c1nc(CO)c(N2CCC3(CCCC3N)CC2)nc1C
InChIInChI=1S/C21H28ClN5O2/c1-13-18(14-5-6-17(22)26-20(14)29-2)25-15(12-28)19(24-13)27-10-8-21(9-11-27)7-3-4-16(21)23/h5-6,16,28H,3-4,7-12,23H2,1-2H3
InChIKeyZMMYQUTZFXIJDB-UHFFFAOYSA-N
XLogP3.10
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 53.10
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

[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
CID 139309485
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(3-chloro-2-ethyl-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 156687252
7-[5-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dihydroisoindol-1-one
CID 148573209
[6-(2,3-dichloro-4-pyridinyl)-5-methyl-3-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 159997828
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dihydro-1H-indol-6-yl)-5-methylpyrazin-2-yl]methanol
CID 139309355
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(1H-indol-6-ylsulfanyl)-5-methylpyrazin-2-yl]methanol
CID 139309309
[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol
CID 155231285
4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)-3-methylpyrazin-2-yl]-2,3-dichlorophenol
CID 139309356
[3-(8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-methylphenyl)-5-methylpyrazin-2-yl]methanol
CID 134182825
[6-(2,3-dichlorophenyl)-5-methyl-3-[(4S)-4-methyl-2,2-dioxo-2λ6-thia-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 161030014
[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(4-chloro-1,3-benzodioxol-5-yl)-5-methylpyrazin-2-yl]methanol;methane
CID 160933843
[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(7-chloro-1-methylindazol-6-yl)-5-methylpyrazin-2-yl]methanol
CID 156687267

Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The IUPAC name of [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol (CID 138735042) is [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol is COc1nc(Cl)ccc1-c1nc(CO)c(N2CCC3(CCCC3N)CC2)nc1C.
What is the InChIKey of [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol?
The InChIKey is ZMMYQUTZFXIJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O2/c1-13-18(14-5-6-17(22)26-20(14)29-2)25-15(12-28)19(24-13)27-10-8-21(9-11-27)7-3-4-16(21)23/h5-6,16,28H,3-4,7-12,23H2,1-2H3.
What are the key properties of [3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol?
[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 417.94 g/mol, XLogP of 3.10, 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-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 138735042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).