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

C23H28N8O2 — CID 171725997

IUPAC[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol
SMILESC[C@@H]1OCC2(CCN(c3nc4cnn(-c5ccc6cn(C)nc6c5)c4nc3CO)CC2)[C@@H]1N
InChIInChI=1S/C23H28N8O2/c1-14-20(24)23(13-33-14)5-7-30(8-6-23)21-19(12-32)27-22-18(26-21)10-25-31(22)16-4-3-15-11-29(2)28-17(15)9-16/h3-4,9-11,14,20,32H,5-8,12-13,24H2,1-2H3/t14-,20+/m0/s1
InChIKeyMIWXRRWRSYEYON-VBKZILBWSA-N
MW448.53 g/mol
LogP1.53
Rot. Bonds3

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

[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol (PubChem CID 171725997) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is [5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol.

Molecular Properties

Compound Name[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol
PubChem CID171725997
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol
SMILESC[C@@H]1OCC2(CCN(c3nc4cnn(-c5ccc6cn(C)nc6c5)c4nc3CO)CC2)[C@@H]1N
InChIInChI=1S/C23H28N8O2/c1-14-20(24)23(13-33-14)5-7-30(8-6-23)21-19(12-32)27-22-18(26-21)10-25-31(22)16-4-3-15-11-29(2)28-17(15)9-16/h3-4,9-11,14,20,32H,5-8,12-13,24H2,1-2H3/t14-,20+/m0/s1
InChIKeyMIWXRRWRSYEYON-VBKZILBWSA-N
XLogP1.53
TPSA120.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Related Compounds

[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
[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(1-methylindol-5-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol
CID 167304933
[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-[(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
[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]-6-(1H-indazol-6-yl)pyrazin-2-yl]methanol
CID 155239751
[5-[(3S,4S)-4-(tert-butylsulfinylamino)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(7-fluoro-2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methyl 2-methylpropane-2-sulfinate
CID 171726012
[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
[3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(2,3,6-trichlorophenyl)pyrazin-2-yl]methanol;sulfane
CID 161480728
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
[5-[(3S,4S)-4-(tert-butylsulfinylamino)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(1-methylindol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methyl 2-methylpropane-2-sulfinate
CID 171726086
1-[4-[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyrazin-2-yl]sulfanyl-3-chloro-2-pyridinyl]azetidin-3-ol
CID 138544751

Frequently Asked Questions

What is the IUPAC name of [5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol?
The IUPAC name of [5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol (CID 171725997) is [5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol.
What is the SMILES notation for [5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol?
The canonical SMILES for [5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol is C[C@@H]1OCC2(CCN(c3nc4cnn(-c5ccc6cn(C)nc6c5)c4nc3CO)CC2)[C@@H]1N.
What is the InChIKey of [5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol?
The InChIKey is MIWXRRWRSYEYON-VBKZILBWSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-14-20(24)23(13-33-14)5-7-30(8-6-23)21-19(12-32)27-22-18(26-21)10-25-31(22)16-4-3-15-11-29(2)28-17(15)9-16/h3-4,9-11,14,20,32H,5-8,12-13,24H2,1-2H3/t14-,20+/m0/s1.
What are the key properties of [5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol?
[5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol has a molecular weight of 448.53 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol is sourced from PubChem (CID 171725997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).