1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine

C21H28N8O — CID 156812766

IUPAC1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCOc1cc(C2CC3(C2)CN(C(C)C)C3)cnc1Cn1ncc2nc(N)nc(N)c21
InChIInChI=1S/C21H28N8O/c1-12(2)28-10-21(11-28)5-14(6-21)13-4-17(30-3)16(24-7-13)9-29-18-15(8-25-29)26-20(23)27-19(18)22/h4,7-8,12,14H,5-6,9-11H2,1-3H3,(H4,22,23,26,27)
InChIKeyNLILFACVXUZQLP-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.03
Rot. Bonds5

About 1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine

1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 156812766) has the molecular formula C21H28N8O and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID156812766
Molecular FormulaC21H28N8O
Molecular Weight408.51 g/mol
Exact Mass408.24
IUPAC Name1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCOc1cc(C2CC3(C2)CN(C(C)C)C3)cnc1Cn1ncc2nc(N)nc(N)c21
InChIInChI=1S/C21H28N8O/c1-12(2)28-10-21(11-28)5-14(6-21)13-4-17(30-3)16(24-7-13)9-29-18-15(8-25-29)26-20(23)27-19(18)22/h4,7-8,12,14H,5-6,9-11H2,1-3H3,(H4,22,23,26,27)
InChIKeyNLILFACVXUZQLP-UHFFFAOYSA-N
XLogP2.03
TPSA121.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine (CID 156812766) is 1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine is COc1cc(C2CC3(C2)CN(C(C)C)C3)cnc1Cn1ncc2nc(N)nc(N)c21.
What is the InChIKey of 1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is NLILFACVXUZQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O/c1-12(2)28-10-21(11-28)5-14(6-21)13-4-17(30-3)16(24-7-13)9-29-18-15(8-25-29)26-20(23)27-19(18)22/h4,7-8,12,14H,5-6,9-11H2,1-3H3,(H4,22,23,26,27).
What are the key properties of 1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 408.51 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-5-(2-propan-2-yl-2-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 156812766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).