(2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol

C22H28N8O — CID 135388439

IUPAC(2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol
SMILESN[C@@H]1C[C@H](O)CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2
InChIInChI=1S/C22H28N8O/c23-17-11-14(31)12-22(17)5-9-29(10-6-22)18-13-25-19-20(26-18)27-28-21(19)30-8-2-3-15-16(30)4-1-7-24-15/h1,4,7,13-14,17,31H,2-3,5-6,8-12,23H2,(H,26,27,28)/t14-,17+/m0/s1
InChIKeyKCQHBMYLGWKVND-WMLDXEAASA-N
MW420.52 g/mol
LogP1.90
Rot. Bonds2

About (2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol

(2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol (PubChem CID 135388439) has the molecular formula C22H28N8O and a molecular weight of 420.52 g/mol. Its IUPAC name is (2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol
PubChem CID135388439
Molecular FormulaC22H28N8O
Molecular Weight420.52 g/mol
Exact Mass420.24
IUPAC Name(2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol
SMILESN[C@@H]1C[C@H](O)CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2
InChIInChI=1S/C22H28N8O/c23-17-11-14(31)12-22(17)5-9-29(10-6-22)18-13-25-19-20(26-18)27-28-21(19)30-8-2-3-15-16(30)4-1-7-24-15/h1,4,7,13-14,17,31H,2-3,5-6,8-12,23H2,(H,26,27,28)/t14-,17+/m0/s1
InChIKeyKCQHBMYLGWKVND-WMLDXEAASA-N
XLogP1.90
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol?
The IUPAC name of (2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol (CID 135388439) is (2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol.
What is the SMILES notation for (2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol?
The canonical SMILES for (2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol is N[C@@H]1C[C@H](O)CC12CCN(c1cnc3c(N4CCCc5ncccc54)n[nH]c3n1)CC2.
What is the InChIKey of (2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol?
The InChIKey is KCQHBMYLGWKVND-WMLDXEAASA-N. The full InChI is InChI=1S/C22H28N8O/c23-17-11-14(31)12-22(17)5-9-29(10-6-22)18-13-25-19-20(26-18)27-28-21(19)30-8-2-3-15-16(30)4-1-7-24-15/h1,4,7,13-14,17,31H,2-3,5-6,8-12,23H2,(H,26,27,28)/t14-,17+/m0/s1.
What are the key properties of (2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol?
(2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol has a molecular weight of 420.52 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-amino-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-2-ol is sourced from PubChem (CID 135388439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).