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,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide

C25H33N9O2 — CID 135388670

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,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)N(C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C25H33N9O2/c1-15-21(26)25(14-36-15)6-8-33(9-7-25)19-13-28-20-22(29-19)30-31-23(20)34-11-10-32(3)18-12-16(24(35)27-2)4-5-17(18)34/h4-5,12-13,15,21H,6-11,14,26H2,1-3H3,(H,27,35)(H,29,30,31)/t15-,21+/m0/s1
InChIKeyZFOYOQVKPJVCGT-YCRPNKLZSA-N
MW491.60 g/mol
LogP1.63
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,4-dimethyl-2,3-dihydroquinoxaline-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,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide (PubChem CID 135388670) has the molecular formula C25H33N9O2 and a molecular weight of 491.60 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,4-dimethyl-2,3-dihydroquinoxaline-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,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide
PubChem CID135388670
Molecular FormulaC25H33N9O2
Molecular Weight491.60 g/mol
Exact Mass491.28
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,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)N(C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C25H33N9O2/c1-15-21(26)25(14-36-15)6-8-33(9-7-25)19-13-28-20-22(29-19)30-31-23(20)34-11-10-32(3)18-12-16(24(35)27-2)4-5-17(18)34/h4-5,12-13,15,21H,6-11,14,26H2,1-3H3,(H,27,35)(H,29,30,31)/t15-,21+/m0/s1
InChIKeyZFOYOQVKPJVCGT-YCRPNKLZSA-N
XLogP1.63
TPSA128.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 51.63
H-Bond Donors ≤ 53
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,4-dimethyl-2,3-dihydroquinoxaline-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,4-dimethyl-2,3-dihydroquinoxaline-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,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide (CID 135388670) 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,4-dimethyl-2,3-dihydroquinoxaline-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,4-dimethyl-2,3-dihydroquinoxaline-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,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide is CNC(=O)c1ccc2c(c1)N(C)CCN2c1n[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,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide?
The InChIKey is ZFOYOQVKPJVCGT-YCRPNKLZSA-N. The full InChI is InChI=1S/C25H33N9O2/c1-15-21(26)25(14-36-15)6-8-33(9-7-25)19-13-28-20-22(29-19)30-31-23(20)34-11-10-32(3)18-12-16(24(35)27-2)4-5-17(18)34/h4-5,12-13,15,21H,6-11,14,26H2,1-3H3,(H,27,35)(H,29,30,31)/t15-,21+/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,4-dimethyl-2,3-dihydroquinoxaline-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,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 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,4-dimethyl-2,3-dihydroquinoxaline-6-carboxamide is sourced from PubChem (CID 135388670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).