7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine

C24H24FN5O — CID 70691584

IUPAC7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)nc1
InChIInChI=1S/C24H24FN5O/c25-19-6-7-20(26-14-19)16-29-11-8-21(9-12-29)31-24-22-10-13-30(23(22)27-17-28-24)15-18-4-2-1-3-5-18/h1-7,10,13-14,17,21H,8-9,11-12,15-16H2
InChIKeyAPNKIFBEFRZJNR-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.06
Rot. Bonds6

About 7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine

7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (PubChem CID 70691584) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
PubChem CID70691584
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESFc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)nc1
InChIInChI=1S/C24H24FN5O/c25-19-6-7-20(26-14-19)16-29-11-8-21(9-12-29)31-24-22-10-13-30(23(22)27-17-28-24)15-18-4-2-1-3-5-18/h1-7,10,13-14,17,21H,8-9,11-12,15-16H2
InChIKeyAPNKIFBEFRZJNR-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-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (CID 70691584) is 7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is Fc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)nc1.
What is the InChIKey of 7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The InChIKey is APNKIFBEFRZJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c25-19-6-7-20(26-14-19)16-29-11-8-21(9-12-29)31-24-22-10-13-30(23(22)27-17-28-24)15-18-4-2-1-3-5-18/h1-7,10,13-14,17,21H,8-9,11-12,15-16H2.
What are the key properties of 7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
7-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]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-benzyl-4-[1-[(5-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 70691584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).