[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

C24H29N7O2 — CID 167304933

IUPAC[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
SMILESC[C@@H]1OCC2(CCN(c3nc4cnn(-c5ccc6c(ccn6C)c5)c4nc3CO)CC2)[C@@H]1N
InChIInChI=1S/C24H29N7O2/c1-15-21(25)24(14-33-15)6-9-30(10-7-24)22-19(13-32)28-23-18(27-22)12-26-31(23)17-3-4-20-16(11-17)5-8-29(20)2/h3-5,8,11-12,15,21,32H,6-7,9-10,13-14,25H2,1-2H3/t15-,21+/m0/s1
InChIKeyOPMWQQIIRQEVMN-YCRPNKLZSA-N
MW447.54 g/mol
LogP2.13
Rot. Bonds3

About [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

[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 (PubChem CID 167304933) has the molecular formula C24H29N7O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID167304933
Molecular FormulaC24H29N7O2
Molecular Weight447.54 g/mol
Exact Mass447.24
IUPAC Name[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
SMILESC[C@@H]1OCC2(CCN(c3nc4cnn(-c5ccc6c(ccn6C)c5)c4nc3CO)CC2)[C@@H]1N
InChIInChI=1S/C24H29N7O2/c1-15-21(25)24(14-33-15)6-9-30(10-7-24)22-19(13-32)28-23-18(27-22)12-26-31(23)17-3-4-20-16(11-17)5-8-29(20)2/h3-5,8,11-12,15,21,32H,6-7,9-10,13-14,25H2,1-2H3/t15-,21+/m0/s1
InChIKeyOPMWQQIIRQEVMN-YCRPNKLZSA-N
XLogP2.13
TPSA107.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [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 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-(2-methylindazol-6-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol
CID 171725997
[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
[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-(2,3,6-trichlorophenyl)pyrazin-2-yl]methanol;sulfane
CID 161480728
[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
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-(1H-indazol-6-yl)pyrazin-2-yl]methanol;sulfane
CID 161451884
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
[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

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-(1-methylindol-5-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-(1-methylindol-5-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol (CID 167304933) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is C[C@@H]1OCC2(CCN(c3nc4cnn(-c5ccc6c(ccn6C)c5)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-(1-methylindol-5-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol?
The InChIKey is OPMWQQIIRQEVMN-YCRPNKLZSA-N. The full InChI is InChI=1S/C24H29N7O2/c1-15-21(25)24(14-33-15)6-9-30(10-7-24)22-19(13-32)28-23-18(27-22)12-26-31(23)17-3-4-20-16(11-17)5-8-29(20)2/h3-5,8,11-12,15,21,32H,6-7,9-10,13-14,25H2,1-2H3/t15-,21+/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-(1-methylindol-5-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-(1-methylindol-5-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol has a molecular weight of 447.54 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 9 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-(1-methylindol-5-yl)pyrazolo[4,5-b]pyrazin-6-yl]methanol is sourced from PubChem (CID 167304933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).