propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate

C22H28N6O4 — CID 58735208

IUPACpropan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate
SMILESCOc1ccc(-c2nn(C)c3c(OC4CCN(C(=O)OC(C)C)CC4)ncnc23)c(C)n1
InChIInChI=1S/C22H28N6O4/c1-13(2)31-22(29)28-10-8-15(9-11-28)32-21-20-19(23-12-24-21)18(26-27(20)4)16-6-7-17(30-5)25-14(16)3/h6-7,12-13,15H,8-11H2,1-5H3
InChIKeyQFAAHMYQCUNSMM-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.13
Rot. Bonds5

About propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate (PubChem CID 58735208) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate
PubChem CID58735208
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC Namepropan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate
SMILESCOc1ccc(-c2nn(C)c3c(OC4CCN(C(=O)OC(C)C)CC4)ncnc23)c(C)n1
InChIInChI=1S/C22H28N6O4/c1-13(2)31-22(29)28-10-8-15(9-11-28)32-21-20-19(23-12-24-21)18(26-27(20)4)16-6-7-17(30-5)25-14(16)3/h6-7,12-13,15H,8-11H2,1-5H3
InChIKeyQFAAHMYQCUNSMM-UHFFFAOYSA-N
XLogP3.13
TPSA104.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

propan-2-yl 4-[3-(2-fluoro-4-isocyanophenyl)-2-methylpyrazolo[4,3-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate
CID 58735262
propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484438
propan-2-yl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46700963
propan-2-yl 4-[5-methyl-6-[[2-methyl-6-(2-propan-2-yloxyethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856722
propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701216
propan-2-yl 4-[6-[[6-(2-fluoroethyl)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11362488
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propan-2-ylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11613117
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfanyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11648576
propan-2-yl 4-[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67540981
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11547948
propan-2-yl 4-[5-methoxy-6-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11503815
propan-2-yl 4-[5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 90152487

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate (CID 58735208) is propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate is COc1ccc(-c2nn(C)c3c(OC4CCN(C(=O)OC(C)C)CC4)ncnc23)c(C)n1.
What is the InChIKey of propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate?
The InChIKey is QFAAHMYQCUNSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-13(2)31-22(29)28-10-8-15(9-11-28)32-21-20-19(23-12-24-21)18(26-27(20)4)16-6-7-17(30-5)25-14(16)3/h6-7,12-13,15H,8-11H2,1-5H3.
What are the key properties of propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazolo[4,5-d]pyrimidin-7-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 58735208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).