7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine

C24H24FN5O — CID 70693673

IUPAC7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESFc1ccccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc21
InChIInChI=1S/C24H24FN5O/c25-22-7-2-1-5-18(22)15-30-14-10-21-23(30)27-17-28-24(21)31-20-8-12-29(13-9-20)16-19-6-3-4-11-26-19/h1-7,10-11,14,17,20H,8-9,12-13,15-16H2
InChIKeyZECJEHQTOHGKFP-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.06
Rot. Bonds6

About 7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine

7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (PubChem CID 70693673) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
PubChem CID70693673
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESFc1ccccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc21
InChIInChI=1S/C24H24FN5O/c25-22-7-2-1-5-18(22)15-30-14-10-21-23(30)27-17-28-24(21)31-20-8-12-29(13-9-20)16-19-6-3-4-11-26-19/h1-7,10-11,14,17,20H,8-9,12-13,15-16H2
InChIKeyZECJEHQTOHGKFP-UHFFFAOYSA-N
XLogP4.06
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (CID 70693673) is 7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is Fc1ccccc1Cn1ccc2c(OC3CCN(Cc4ccccn4)CC3)ncnc21.
What is the InChIKey of 7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The InChIKey is ZECJEHQTOHGKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c25-22-7-2-1-5-18(22)15-30-14-10-21-23(30)27-17-28-24(21)31-20-8-12-29(13-9-20)16-19-6-3-4-11-26-19/h1-7,10-11,14,17,20H,8-9,12-13,15-16H2.
What are the key properties of 7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine has a molecular weight of 417.49 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 70693673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).