[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol

C21H27Cl2N5O — CID 139309485

IUPAC[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1ccc(N)c(Cl)c1Cl
InChIInChI=1S/C21H27Cl2N5O/c1-12-19(13-4-5-14(24)18(23)17(13)22)27-15(11-29)20(26-12)28-9-7-21(8-10-28)6-2-3-16(21)25/h4-5,16,29H,2-3,6-11,24-25H2,1H3/t16-/m1/s1
InChIKeyCCHNBKYUEBFGLS-MRXNPFEDSA-N
MW436.39 g/mol
LogP3.93
Rot. Bonds3

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

[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol (PubChem CID 139309485) has the molecular formula C21H27Cl2N5O and a molecular weight of 436.39 g/mol. Its IUPAC name is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
PubChem CID139309485
Molecular FormulaC21H27Cl2N5O
Molecular Weight436.39 g/mol
Exact Mass435.16
IUPAC Name[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1ccc(N)c(Cl)c1Cl
InChIInChI=1S/C21H27Cl2N5O/c1-12-19(13-4-5-14(24)18(23)17(13)22)27-15(11-29)20(26-12)28-9-7-21(8-10-28)6-2-3-16(21)25/h4-5,16,29H,2-3,6-11,24-25H2,1H3/t16-/m1/s1
InChIKeyCCHNBKYUEBFGLS-MRXNPFEDSA-N
XLogP3.93
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[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
[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(6-chloro-2-methoxy-3-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 138735042
[3-(8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-methylphenyl)-5-methylpyrazin-2-yl]methanol
CID 134182825
[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
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
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-[(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-[(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
[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-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(2,3-dichlorophenyl)-5-methylpyrazin-2-yl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 139309803
[3-(4-amino-4-methylpiperidin-1-yl)-6-(2-bromo-3-chloro-4-pyridinyl)-5-methylpyrazin-2-yl]methanol
CID 139309246
[3-(4-amino-8-azaspiro[4.5]decan-8-yl)-6-(2,3-dichloro-4-pyridinyl)pyrazin-2-yl]methanol
CID 155231285

Frequently Asked Questions

What is the IUPAC name of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol?
The IUPAC name of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol (CID 139309485) is [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol?
The canonical SMILES for [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol is Cc1nc(N2CCC3(CCC[C@H]3N)CC2)c(CO)nc1-c1ccc(N)c(Cl)c1Cl.
What is the InChIKey of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol?
The InChIKey is CCHNBKYUEBFGLS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H27Cl2N5O/c1-12-19(13-4-5-14(24)18(23)17(13)22)27-15(11-29)20(26-12)28-9-7-21(8-10-28)6-2-3-16(21)25/h4-5,16,29H,2-3,6-11,24-25H2,1H3/t16-/m1/s1.
What are the key properties of [3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol?
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol has a molecular weight of 436.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 3 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-(4-amino-2,3-dichlorophenyl)-5-methylpyrazin-2-yl]methanol is sourced from PubChem (CID 139309485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).