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]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide

C22H28N10O2 — CID 135388786

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]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCN(C(N)=O)c6ncccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C22H28N10O2/c1-13-17(23)22(12-34-13)4-7-30(8-5-22)15-11-26-16-18(27-15)28-29-20(16)31-9-10-32(21(24)33)19-14(31)3-2-6-25-19/h2-3,6,11,13,17H,4-5,7-10,12,23H2,1H3,(H2,24,33)(H,27,28,29)/t13-,17+/m0/s1
InChIKeyGJNPUPRSFYXHGP-SUMWQHHRSA-N
MW464.53 g/mol
LogP1.12
Rot. Bonds2

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]-2,3-dihydropyrido[2,3-b]pyrazine-4-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]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 135388786) has the molecular formula C22H28N10O2 and a molecular weight of 464.53 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]-2,3-dihydropyrido[2,3-b]pyrazine-4-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]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID135388786
Molecular FormulaC22H28N10O2
Molecular Weight464.53 g/mol
Exact Mass464.24
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]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCN(C(N)=O)c6ncccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C22H28N10O2/c1-13-17(23)22(12-34-13)4-7-30(8-5-22)15-11-26-16-18(27-15)28-29-20(16)31-9-10-32(21(24)33)19-14(31)3-2-6-25-19/h2-3,6,11,13,17H,4-5,7-10,12,23H2,1H3,(H2,24,33)(H,27,28,29)/t13-,17+/m0/s1
InChIKeyGJNPUPRSFYXHGP-SUMWQHHRSA-N
XLogP1.12
TPSA155.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 51.12
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]-2,3-dihydropyrido[2,3-b]pyrazine-4-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]-2,3-dihydropyrido[2,3-b]pyrazine-4-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]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (CID 135388786) 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]-2,3-dihydropyrido[2,3-b]pyrazine-4-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]-2,3-dihydropyrido[2,3-b]pyrazine-4-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]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is C[C@@H]1OCC2(CCN(c3cnc4c(N5CCN(C(N)=O)c6ncccc65)n[nH]c4n3)CC2)[C@@H]1N.
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]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is GJNPUPRSFYXHGP-SUMWQHHRSA-N. The full InChI is InChI=1S/C22H28N10O2/c1-13-17(23)22(12-34-13)4-7-30(8-5-22)15-11-26-16-18(27-15)28-29-20(16)31-9-10-32(21(24)33)19-14(31)3-2-6-25-19/h2-3,6,11,13,17H,4-5,7-10,12,23H2,1H3,(H2,24,33)(H,27,28,29)/t13-,17+/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]-2,3-dihydropyrido[2,3-b]pyrazine-4-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]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 1.12, 2 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]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 135388786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).