5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine

C19H21FN4O — CID 126840914

IUPAC5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccccc1COC1CCN(Cc2c[nH]c3ncncc23)CC1
InChIInChI=1S/C19H21FN4O/c20-18-4-2-1-3-14(18)12-25-16-5-7-24(8-6-16)11-15-9-22-19-17(15)10-21-13-23-19/h1-4,9-10,13,16H,5-8,11-12H2,(H,21,22,23)
InChIKeyLVQRVEOZIJRMBA-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.28
Rot. Bonds5

About 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine

5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 126840914) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID126840914
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine
SMILESFc1ccccc1COC1CCN(Cc2c[nH]c3ncncc23)CC1
InChIInChI=1S/C19H21FN4O/c20-18-4-2-1-3-14(18)12-25-16-5-7-24(8-6-16)11-15-9-22-19-17(15)10-21-13-23-19/h1-4,9-10,13,16H,5-8,11-12H2,(H,21,22,23)
InChIKeyLVQRVEOZIJRMBA-UHFFFAOYSA-N
XLogP3.28
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine (CID 126840914) is 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine is Fc1ccccc1COC1CCN(Cc2c[nH]c3ncncc23)CC1.
What is the InChIKey of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is LVQRVEOZIJRMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c20-18-4-2-1-3-14(18)12-25-16-5-7-24(8-6-16)11-15-9-22-19-17(15)10-21-13-23-19/h1-4,9-10,13,16H,5-8,11-12H2,(H,21,22,23).
What are the key properties of 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine?
5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 340.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-fluorophenyl)methoxy]piperidin-1-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 126840914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).