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

C24H24FN5O — CID 70683188

IUPAC7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESFc1cccnc1CN1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1
InChIInChI=1S/C24H24FN5O/c25-21-7-4-11-26-22(21)16-29-12-8-19(9-13-29)31-24-20-10-14-30(23(20)27-17-28-24)15-18-5-2-1-3-6-18/h1-7,10-11,14,17,19H,8-9,12-13,15-16H2
InChIKeyXKWUOIWEHZPVIB-UHFFFAOYSA-N
MW417.49 g/mol
LogP4.06
Rot. Bonds6

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

7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (PubChem CID 70683188) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is 7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
PubChem CID70683188
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC Name7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESFc1cccnc1CN1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1
InChIInChI=1S/C24H24FN5O/c25-21-7-4-11-26-22(21)16-29-12-8-19(9-13-29)31-24-20-10-14-30(23(20)27-17-28-24)15-18-5-2-1-3-6-18/h1-7,10-11,14,17,19H,8-9,12-13,15-16H2
InChIKeyXKWUOIWEHZPVIB-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (CID 70683188) is 7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is Fc1cccnc1CN1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1.
What is the InChIKey of 7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The InChIKey is XKWUOIWEHZPVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O/c25-21-7-4-11-26-22(21)16-29-12-8-19(9-13-29)31-24-20-10-14-30(23(20)27-17-28-24)15-18-5-2-1-3-6-18/h1-7,10-11,14,17,19H,8-9,12-13,15-16H2.
What are the key properties of 7-benzyl-4-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
7-benzyl-4-[1-[(3-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-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 70683188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).