propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

C22H26FN5O4 — CID 44514107

IUPACpropan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
SMILESCCOc1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)OC(C)C)CC2)c(F)c1
InChIInChI=1S/C22H26FN5O4/c1-4-30-16-5-6-19(18(23)11-16)32-21-17-12-26-28(20(17)24-13-25-21)15-7-9-27(10-8-15)22(29)31-14(2)3/h5-6,11-15H,4,7-10H2,1-3H3
InChIKeyJWBFTXMHYDVEOL-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.34
Rot. Bonds6

About propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate

propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (PubChem CID 44514107) has the molecular formula C22H26FN5O4 and a molecular weight of 443.48 g/mol. Its IUPAC name is propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
PubChem CID44514107
Molecular FormulaC22H26FN5O4
Molecular Weight443.48 g/mol
Exact Mass443.20
IUPAC Namepropan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
SMILESCCOc1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)OC(C)C)CC2)c(F)c1
InChIInChI=1S/C22H26FN5O4/c1-4-30-16-5-6-19(18(23)11-16)32-21-17-12-26-28(20(17)24-13-25-21)15-7-9-27(10-8-15)22(29)31-14(2)3/h5-6,11-15H,4,7-10H2,1-3H3
InChIKeyJWBFTXMHYDVEOL-UHFFFAOYSA-N
XLogP4.34
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

propan-2-yl 4-[4-(2-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 44514108
propan-2-yl 4-[6-[2-fluoro-4-(2-propan-2-yloxyethoxy)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11191059
propan-2-yl 4-[1-(2-fluoro-4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57496329
propan-2-yl 4-[4-(1,5-dioxaspiro[5.5]undecan-9-yloxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 53258244
propan-2-yl 4-[6-[2-fluoro-4-[2-(2-methylpropoxy)ethoxy]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856761
propan-2-yl 4-[5-ethynyl-6-[2-fluoro-4-(trifluoromethoxy)phenoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11488561
tert-butyl 4-[4-[4-(dimethylaminosulfanyl)phenoxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 143896289
4-[4-(4-cyanophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylic acid
CID 69014388
propan-2-yl 4-[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11386126
tert-butyl 4-[4-[(2-methyl-6-methylsulfonyl-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 44514684
propan-2-yl 4-[1-[4-(2-methoxyethylamino)phenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57496318
propan-2-yl 4-[5-ethyl-6-(2-fluoro-4-methylsulfinylphenoxy)pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 143023181

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate (CID 44514107) is propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is CCOc1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)OC(C)C)CC2)c(F)c1.
What is the InChIKey of propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
The InChIKey is JWBFTXMHYDVEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O4/c1-4-30-16-5-6-19(18(23)11-16)32-21-17-12-26-28(20(17)24-13-25-21)15-7-9-27(10-8-15)22(29)31-14(2)3/h5-6,11-15H,4,7-10H2,1-3H3.
What are the key properties of propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate?
propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate has a molecular weight of 443.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 44514107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).