1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine

C23H30N8O — CID 156812994

IUPAC1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCOc1cc(C2=CC3(CCN(C(C)C)CC3)C2)cnc1Cn1ncc2nc(N)nc(N)c21
InChIInChI=1S/C23H30N8O/c1-14(2)30-6-4-23(5-7-30)9-16(10-23)15-8-19(32-3)18(26-11-15)13-31-20-17(12-27-31)28-22(25)29-21(20)24/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H4,24,25,28,29)
InChIKeyUNSYPHJELOQCGJ-UHFFFAOYSA-N
MW434.55 g/mol
LogP2.72
Rot. Bonds5

About 1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine

1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 156812994) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is 1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID156812994
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC Name1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCOc1cc(C2=CC3(CCN(C(C)C)CC3)C2)cnc1Cn1ncc2nc(N)nc(N)c21
InChIInChI=1S/C23H30N8O/c1-14(2)30-6-4-23(5-7-30)9-16(10-23)15-8-19(32-3)18(26-11-15)13-31-20-17(12-27-31)28-22(25)29-21(20)24/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H4,24,25,28,29)
InChIKeyUNSYPHJELOQCGJ-UHFFFAOYSA-N
XLogP2.72
TPSA121.00 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-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

Related Compounds

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
1-[[3-methoxy-5-[1-(1-propan-2-ylazetidin-3-yl)piperidin-4-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156813453
(3S)-3-[[5-amino-1-[[5-(7-azaspiro[3.5]non-2-en-2-yl)-3-methoxy-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 165370648
[4-[(5,7-diaminopyrazolo[4,5-d]pyrimidin-1-yl)methyl]-3-methoxyphenyl]-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 156812783
1-[[3-methoxy-5-(1-methylpiperidin-4-yl)-2-pyridinyl]methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156813420
1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 146328691
1-[(3-methoxy-5-piperidin-4-yl-2-pyridinyl)methyl]-7-N-(spiro[2.3]hexan-5-ylmethyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156813398
[4-[(5,7-diaminopyrazolo[4,5-d]pyrimidin-1-yl)methyl]-3-methoxyphenyl]-[6-(2-hydroxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]methanone
CID 156812914
(3S)-3-[[5-amino-1-[(3-methoxy-5-piperazin-1-yl-2-pyridinyl)methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 165370878
3-[[5-amino-1-[[3-methoxy-6-(1-propan-2-ylpiperidin-4-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 166695233
(3S)-3-[[5-amino-1-[[3-methoxy-5-[2-(oxan-4-yl)-2-azaspiro[3.5]nonan-7-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidin-7-yl]amino]hexan-1-ol
CID 166684861
7-N-butyl-1-[[3-methoxy-5-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156813378

Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine (CID 156812994) is 1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine is COc1cc(C2=CC3(CCN(C(C)C)CC3)C2)cnc1Cn1ncc2nc(N)nc(N)c21.
What is the InChIKey of 1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is UNSYPHJELOQCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-14(2)30-6-4-23(5-7-30)9-16(10-23)15-8-19(32-3)18(26-11-15)13-31-20-17(12-27-31)28-22(25)29-21(20)24/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H4,24,25,28,29).
What are the key properties of 1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine?
1-[[3-methoxy-5-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 434.55 g/mol, XLogP of 2.72, 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-(7-propan-2-yl-7-azaspiro[3.5]non-2-en-2-yl)-2-pyridinyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 156812994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).