[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

C21H26N8O3 — CID 156812914

IUPAC[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
SMILESCOc1cc(C(=O)N2CC3(CN(CCO)C3)C2)ccc1Cn1ncc2nc(N)nc(N)c21
InChIInChI=1S/C21H26N8O3/c1-32-16-6-13(19(31)28-11-21(12-28)9-27(10-21)4-5-30)2-3-14(16)8-29-17-15(7-24-29)25-20(23)26-18(17)22/h2-3,6-7,30H,4-5,8-12H2,1H3,(H4,22,23,25,26)
InChIKeyDSVDIHOPTBKWPP-UHFFFAOYSA-N
MW438.49 g/mol
LogP-0.20
Rot. Bonds6

About [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

[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 (PubChem CID 156812914) has the molecular formula C21H26N8O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID156812914
Molecular FormulaC21H26N8O3
Molecular Weight438.49 g/mol
Exact Mass438.21
IUPAC Name[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
SMILESCOc1cc(C(=O)N2CC3(CN(CCO)C3)C2)ccc1Cn1ncc2nc(N)nc(N)c21
InChIInChI=1S/C21H26N8O3/c1-32-16-6-13(19(31)28-11-21(12-28)9-27(10-21)4-5-30)2-3-14(16)8-29-17-15(7-24-29)25-20(23)26-18(17)22/h2-3,6-7,30H,4-5,8-12H2,1H3,(H4,22,23,25,26)
InChIKeyDSVDIHOPTBKWPP-UHFFFAOYSA-N
XLogP-0.20
TPSA148.65 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze [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 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

[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
2-amino-6-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2-methoxyphenyl]methyl]-4-[[(2S)-pentan-2-yl]amino]pyrimido[4,5-d]pyridazin-5-one
CID 169192967
[4-[[5-amino-7-(butylamino)pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxyphenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 170158356
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-[[5-amino-7-[[(3S)-1-hydroxyhexan-3-yl]amino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxyphenyl]methanone
CID 166686492
2-[2-[[4-[[5-amino-7-(butylamino)pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxyphenyl]methyl]-2,7-diazaspiro[4.4]nonan-7-yl]ethanol
CID 156812764
1-[[2-methoxy-4-[[(4-methyloxan-4-yl)amino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 146328691
4-[4-[[5-amino-7-[(5-methyl-1,2-oxazol-3-yl)methylamino]pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxybenzoyl]piperazin-2-one
CID 170171493
4-[[5-amino-7-(spiro[2.3]hexan-5-ylmethylamino)pyrazolo[4,5-d]pyrimidin-1-yl]methyl]-3-methoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 156812836
hexan-1-ol;1-[[2-methoxy-4-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenyl]methyl]pyrazolo[4,5-d]pyrimidine-5,7-diamine
CID 156813267
2-amino-4-(butylamino)-6-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-2-methoxyphenyl]methyl]pyrido[4,3-d]pyrimidin-5-one
CID 170186371
(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone
CID 166828507
(4-amino-3-methoxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 90104243

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1cc(C(=O)N2CC3(CN(CCO)C3)C2)ccc1Cn1ncc2nc(N)nc(N)c21.
What is the InChIKey of [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?
The InChIKey is DSVDIHOPTBKWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O3/c1-32-16-6-13(19(31)28-11-21(12-28)9-27(10-21)4-5-30)2-3-14(16)8-29-17-15(7-24-29)25-20(23)26-18(17)22/h2-3,6-7,30H,4-5,8-12H2,1H3,(H4,22,23,25,26).
What are the key properties of [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?
[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 has a molecular weight of 438.49 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 156812914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).