methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate

C17H25N5O3 — CID 95775292

IUPACmethyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
SMILESCCO[C@@H]1C[C@H](N(C)c2ncnc3c2cnn3CC(=O)OC)C1(C)C
InChIInChI=1S/C17H25N5O3/c1-6-25-13-7-12(17(13,2)3)21(4)15-11-8-20-22(9-14(23)24-5)16(11)19-10-18-15/h8,10,12-13H,6-7,9H2,1-5H3/t12-,13+/m0/s1
InChIKeyNNUYTHYRBIAFGL-QWHCGFSZSA-N
MW347.42 g/mol
LogP1.64
Rot. Bonds6

About methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate

methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate (PubChem CID 95775292) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
PubChem CID95775292
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Namemethyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
SMILESCCO[C@@H]1C[C@H](N(C)c2ncnc3c2cnn3CC(=O)OC)C1(C)C
InChIInChI=1S/C17H25N5O3/c1-6-25-13-7-12(17(13,2)3)21(4)15-11-8-20-22(9-14(23)24-5)16(11)19-10-18-15/h8,10,12-13H,6-7,9H2,1-5H3/t12-,13+/m0/s1
InChIKeyNNUYTHYRBIAFGL-QWHCGFSZSA-N
XLogP1.64
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate with MolForge

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Related Compounds

methyl 2-[4-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 86964216
methyl 2-[4-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 133431118
methyl 2-[4-[(3,3-dimethyl-1,2-dihydroinden-1-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 133387036
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 53196804
methyl 2-[4-(5-methyl-1,4-thiazepan-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 119035225
methyl 2-[4-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 86966526
methyl 2-[4-[(2S)-2-(3-methylbutyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 96542169
methyl 2-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 86964265
methyl 2-[4-[(2-chloro-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 133308021
3-chloro-N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-5-nitropyridin-2-amine
CID 99810442
methyl 2-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]pyrazolo[3,4-d]pyrimidin-1-yl]acetate
CID 86777702
2-[4-(diethylamino)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53196741

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate (CID 95775292) is methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate is CCO[C@@H]1C[C@H](N(C)c2ncnc3c2cnn3CC(=O)OC)C1(C)C.
What is the InChIKey of methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate?
The InChIKey is NNUYTHYRBIAFGL-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-6-25-13-7-12(17(13,2)3)21(4)15-11-8-20-22(9-14(23)24-5)16(11)19-10-18-15/h8,10,12-13H,6-7,9H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate?
methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate has a molecular weight of 347.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]pyrazolo[5,4-d]pyrimidin-1-yl]acetate is sourced from PubChem (CID 95775292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).