[3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol

C24H31N5O2 — CID 160897655

IUPAC[3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3C)c(CO)nc1-c1ccc2cnn(C)c2c1
InChIInChI=1S/C24H31N5O2/c1-15-17(3)31-14-24(15)7-9-29(10-8-24)23-20(13-30)27-22(16(2)26-23)18-5-6-19-12-25-28(4)21(19)11-18/h5-6,11-12,15,17,30H,7-10,13-14H2,1-4H3/t15-,17+/m1/s1
InChIKeySPBWLBGFBBDVKY-WBVHZDCISA-N
MW421.55 g/mol
LogP3.47
Rot. Bonds3

About [3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol

[3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol (PubChem CID 160897655) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is [3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol
PubChem CID160897655
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name[3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol
SMILESCc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3C)c(CO)nc1-c1ccc2cnn(C)c2c1
InChIInChI=1S/C24H31N5O2/c1-15-17(3)31-14-24(15)7-9-29(10-8-24)23-20(13-30)27-22(16(2)26-23)18-5-6-19-12-25-28(4)21(19)11-18/h5-6,11-12,15,17,30H,7-10,13-14H2,1-4H3/t15-,17+/m1/s1
InChIKeySPBWLBGFBBDVKY-WBVHZDCISA-N
XLogP3.47
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol with MolForge

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Related Compounds

[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
[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-pyrazolo[1,5-a]pyridin-5-ylpyrazin-2-yl]methanol;methane
CID 162156168
[6-(2,3-dichlorophenyl)sulfanyl-3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methylpyrazin-2-yl]methanol
CID 167546516
[3-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(1,3-benzoxazol-6-yl)-5-methylpyrazin-2-yl]methanol
CID 139309987
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-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-bromo-5-methylpyrazin-2-yl]methanol
CID 134183065
[3-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-6-(5-chloro-1H-indazol-6-yl)-5-methylpyrazin-2-yl]methanol
CID 174160322
[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
[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(3-methylbenzimidazol-5-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol
CID 171726093
[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(1H-indazol-6-yl)pyrazin-2-yl]methanol
CID 155239751
[5-ethanimidoyl-6-[(1-methylindazol-6-yl)amino]-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 167305055
[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(1H-indazol-6-yl)pyrazin-2-yl]methanol;sulfane
CID 161451884

Frequently Asked Questions

What is the IUPAC name of [3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol?
The IUPAC name of [3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol (CID 160897655) is [3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol.
What is the SMILES notation for [3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol?
The canonical SMILES for [3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol is Cc1nc(N2CCC3(CC2)CO[C@@H](C)[C@H]3C)c(CO)nc1-c1ccc2cnn(C)c2c1.
What is the InChIKey of [3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol?
The InChIKey is SPBWLBGFBBDVKY-WBVHZDCISA-N. The full InChI is InChI=1S/C24H31N5O2/c1-15-17(3)31-14-24(15)7-9-29(10-8-24)23-20(13-30)27-22(16(2)26-23)18-5-6-19-12-25-28(4)21(19)11-18/h5-6,11-12,15,17,30H,7-10,13-14H2,1-4H3/t15-,17+/m1/s1.
What are the key properties of [3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol?
[3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol has a molecular weight of 421.55 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3S,4S)-3,4-dimethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methyl-6-(1-methylindazol-6-yl)pyrazin-2-yl]methanol is sourced from PubChem (CID 160897655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).