1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide

C24H31N9O2 — CID 135388930

IUPAC1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)NCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C24H31N9O2/c1-14-20(25)24(13-35-14)5-8-32(9-6-24)18-12-28-19-21(29-18)30-31-22(19)33-10-7-27-16-11-15(23(34)26-2)3-4-17(16)33/h3-4,11-12,14,20,27H,5-10,13,25H2,1-2H3,(H,26,34)(H,29,30,31)/t14-,20+/m0/s1
InChIKeyHPXOZJRPIQLTOH-VBKZILBWSA-N
MW477.57 g/mol
LogP1.61
Rot. Bonds3

About 1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide

1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide (PubChem CID 135388930) has the molecular formula C24H31N9O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide
PubChem CID135388930
Molecular FormulaC24H31N9O2
Molecular Weight477.57 g/mol
Exact Mass477.26
IUPAC Name1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)NCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C24H31N9O2/c1-14-20(25)24(13-35-14)5-8-32(9-6-24)18-12-28-19-21(29-18)30-31-22(19)33-10-7-27-16-11-15(23(34)26-2)3-4-17(16)33/h3-4,11-12,14,20,27H,5-10,13,25H2,1-2H3,(H,26,34)(H,29,30,31)/t14-,20+/m0/s1
InChIKeyHPXOZJRPIQLTOH-VBKZILBWSA-N
XLogP1.61
TPSA137.32 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide?
The IUPAC name of 1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide (CID 135388930) is 1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide.
What is the SMILES notation for 1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide?
The canonical SMILES for 1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide is CNC(=O)c1ccc2c(c1)NCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12.
What is the InChIKey of 1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide?
The InChIKey is HPXOZJRPIQLTOH-VBKZILBWSA-N. The full InChI is InChI=1S/C24H31N9O2/c1-14-20(25)24(13-35-14)5-8-32(9-6-24)18-12-28-19-21(29-18)30-31-22(19)33-10-7-27-16-11-15(23(34)26-2)3-4-17(16)33/h3-4,11-12,14,20,27H,5-10,13,25H2,1-2H3,(H,26,34)(H,29,30,31)/t14-,20+/m0/s1.
What are the key properties of 1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide?
1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 1.61, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-N-methyl-3,4-dihydro-2H-quinoxaline-6-carboxamide is sourced from PubChem (CID 135388930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).