propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

C21H25N5O3 — CID 44622021

IUPACpropyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1
InChIInChI=1S/C21H25N5O3/c1-3-13-28-21(27)25-10-6-16(7-11-25)26-12-8-17-19(26)23-14-24-20(17)29-18-5-4-9-22-15(18)2/h4-5,8-9,12,14,16H,3,6-7,10-11,13H2,1-2H3
InChIKeyJTKZDBZBWSGWPY-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.11
Rot. Bonds5

About propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate

propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate (PubChem CID 44622021) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
PubChem CID44622021
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Namepropyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1
InChIInChI=1S/C21H25N5O3/c1-3-13-28-21(27)25-10-6-16(7-11-25)26-12-8-17-19(26)23-14-24-20(17)29-18-5-4-9-22-15(18)2/h4-5,8-9,12,14,16H,3,6-7,10-11,13H2,1-2H3
InChIKeyJTKZDBZBWSGWPY-UHFFFAOYSA-N
XLogP4.11
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 44621891
propyl 3-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58414734
phenyl 4-[4-[(2-methyl-3-pyridinyl)amino]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate
CID 58270358
butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate
CID 68589502
tert-butyl 4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
CID 58270310
ethyl (4R)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]azepane-1-carboxylate
CID 78318452
(3S,4S)-3-fluoro-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 71226914
butyl 4-[6-[(6-cyclopropylsulfonyl-2-methyl-3-pyridinyl)oxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46700959
7-cyclohexyl-4-methoxypyrrolo[2,3-d]pyrimidine
CID 154947058
ethyl 2-[4-[2-methyl-4-[(2-methyl-3-pyridinyl)oxy]-1,2-dihydropyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]acetate
CID 91350688
propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 95543017
ethyl 4-[4-[2-(fluoromethoxy)-3-pyridinyl]piperidin-1-yl]azepane-1-carboxylate
CID 118604292

Frequently Asked Questions

What is the IUPAC name of propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
The IUPAC name of propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate (CID 44622021) is propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate.
What is the SMILES notation for propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
The canonical SMILES for propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate is CCCOC(=O)N1CCC(n2ccc3c(Oc4cccnc4C)ncnc32)CC1.
What is the InChIKey of propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
The InChIKey is JTKZDBZBWSGWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-3-13-28-21(27)25-10-6-16(7-11-25)26-12-8-17-19(26)23-14-24-20(17)29-18-5-4-9-22-15(18)2/h4-5,8-9,12,14,16H,3,6-7,10-11,13H2,1-2H3.
What are the key properties of propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate?
propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate has a molecular weight of 395.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[4-[(2-methyl-3-pyridinyl)oxy]pyrrolo[2,3-d]pyrimidin-7-yl]piperidine-1-carboxylate is sourced from PubChem (CID 44622021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).