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

C24H25N5O — CID 57328466

IUPAC7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESc1ccc(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc32)cc1
InChIInChI=1S/C24H25N5O/c1-2-6-19(7-3-1)16-29-15-11-22-23(29)26-18-27-24(22)30-21-9-13-28(14-10-21)17-20-8-4-5-12-25-20/h1-8,11-12,15,18,21H,9-10,13-14,16-17H2
InChIKeyRFZHHXIXCJHZNR-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.92
Rot. Bonds6

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

7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (PubChem CID 57328466) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
PubChem CID57328466
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESc1ccc(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc32)cc1
InChIInChI=1S/C24H25N5O/c1-2-6-19(7-3-1)16-29-15-11-22-23(29)26-18-27-24(22)30-21-9-13-28(14-10-21)17-20-8-4-5-12-25-20/h1-8,11-12,15,18,21H,9-10,13-14,16-17H2
InChIKeyRFZHHXIXCJHZNR-UHFFFAOYSA-N
XLogP3.92
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.92
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-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (CID 57328466) is 7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is c1ccc(Cn2ccc3c(OC4CCN(Cc5ccccn5)CC4)ncnc32)cc1.
What is the InChIKey of 7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The InChIKey is RFZHHXIXCJHZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-2-6-19(7-3-1)16-29-15-11-22-23(29)26-18-27-24(22)30-21-9-13-28(14-10-21)17-20-8-4-5-12-25-20/h1-8,11-12,15,18,21H,9-10,13-14,16-17H2.
What are the key properties of 7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
7-benzyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine has a molecular weight of 399.50 g/mol, XLogP of 3.92, 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-(pyridin-2-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 57328466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).