(3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

C26H32N10O2 — CID 167366332

IUPAC(3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1nnc(-c2ccc3c(c2)N(C)CCN3c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)o1
InChIInChI=1S/C26H32N10O2/c1-15-22(27)26(14-37-15)6-8-35(9-7-26)20-13-28-21-23(29-20)31-32-24(21)36-11-10-34(3)19-12-17(4-5-18(19)36)25-33-30-16(2)38-25/h4-5,12-13,15,22H,6-11,14,27H2,1-3H3,(H,29,31,32)/t15-,22+/m0/s1
InChIKeyDPHGDBJRQXCGKC-OYHNWAKOSA-N
MW516.61 g/mol
LogP2.63
Rot. Bonds3

About (3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine

(3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 167366332) has the molecular formula C26H32N10O2 and a molecular weight of 516.61 g/mol. Its IUPAC name is (3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID167366332
Molecular FormulaC26H32N10O2
Molecular Weight516.61 g/mol
Exact Mass516.27
IUPAC Name(3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCc1nnc(-c2ccc3c(c2)N(C)CCN3c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)o1
InChIInChI=1S/C26H32N10O2/c1-15-22(27)26(14-37-15)6-8-35(9-7-26)20-13-28-21-23(29-20)31-32-24(21)36-11-10-34(3)19-12-17(4-5-18(19)36)25-33-30-16(2)38-25/h4-5,12-13,15,22H,6-11,14,27H2,1-3H3,(H,29,31,32)/t15-,22+/m0/s1
InChIKeyDPHGDBJRQXCGKC-OYHNWAKOSA-N
XLogP2.63
TPSA138.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.61
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze (3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 167366332) is (3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is Cc1nnc(-c2ccc3c(c2)N(C)CCN3c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)o1.
What is the InChIKey of (3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is DPHGDBJRQXCGKC-OYHNWAKOSA-N. The full InChI is InChI=1S/C26H32N10O2/c1-15-22(27)26(14-37-15)6-8-35(9-7-26)20-13-28-21-23(29-20)31-32-24(21)36-11-10-34(3)19-12-17(4-5-18(19)36)25-33-30-16(2)38-25/h4-5,12-13,15,22H,6-11,14,27H2,1-3H3,(H,29,31,32)/t15-,22+/m0/s1.
What are the key properties of (3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 516.61 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methyl-8-[3-[4-methyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-2,3-dihydroquinoxalin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 167366332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).