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

C23H30N10O2 — CID 135388911

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-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCNC(=O)N1CCN(c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)c2cccnc21
InChIInChI=1S/C23H30N10O2/c1-14-18(24)23(13-35-14)5-8-31(9-6-23)16-12-27-17-19(28-16)29-30-21(17)32-10-11-33(22(34)25-2)20-15(32)4-3-7-26-20/h3-4,7,12,14,18H,5-6,8-11,13,24H2,1-2H3,(H,25,34)(H,28,29,30)/t14-,18+/m0/s1
InChIKeyVUQUUBRWWMCDJN-KBXCAEBGSA-N
MW478.56 g/mol
LogP1.38
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]-N-methyl-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]-N-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (PubChem CID 135388911) has the molecular formula C23H30N10O2 and a molecular weight of 478.56 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-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]-N-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
PubChem CID135388911
Molecular FormulaC23H30N10O2
Molecular Weight478.56 g/mol
Exact Mass478.26
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-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
SMILESCNC(=O)N1CCN(c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)c2cccnc21
InChIInChI=1S/C23H30N10O2/c1-14-18(24)23(13-35-14)5-8-31(9-6-23)16-12-27-17-19(28-16)29-30-21(17)32-10-11-33(22(34)25-2)20-15(32)4-3-7-26-20/h3-4,7,12,14,18H,5-6,8-11,13,24H2,1-2H3,(H,25,34)(H,28,29,30)/t14-,18+/m0/s1
InChIKeyVUQUUBRWWMCDJN-KBXCAEBGSA-N
XLogP1.38
TPSA141.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.56
LogP ≤ 51.38
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-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide with MolForge

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Related Compounds

CID 58379501
CID 58379501
CID 146478808
CID 146478808
CID 134474056
CID 134474056
CID 135388643
CID 135388643
CID 146448911
CID 146448911
CID 146449024
CID 146449024
CID 146478680
CID 146478680
CID 53374857
CID 53374857
CID 53374858
CID 53374858
CID 58379498
CID 58379498
CID 58379524
CID 58379524
CID 58379526
CID 58379526

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-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]-N-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide (CID 135388911) 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-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]-N-methyl-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]-N-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is CNC(=O)N1CCN(c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)c2cccnc21.
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-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide?
The InChIKey is VUQUUBRWWMCDJN-KBXCAEBGSA-N. The full InChI is InChI=1S/C23H30N10O2/c1-14-18(24)23(13-35-14)5-8-31(9-6-23)16-12-27-17-19(28-16)29-30-21(17)32-10-11-33(22(34)25-2)20-15(32)4-3-7-26-20/h3-4,7,12,14,18H,5-6,8-11,13,24H2,1-2H3,(H,25,34)(H,28,29,30)/t14-,18+/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-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]-N-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide has a molecular weight of 478.56 g/mol, XLogP of 1.38, 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]-N-methyl-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide is sourced from PubChem (CID 135388911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).