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

C25H27N5O — CID 70683187

IUPAC7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)nc1
InChIInChI=1S/C25H27N5O/c1-19-7-8-21(26-15-19)17-29-12-9-22(10-13-29)31-25-23-11-14-30(24(23)27-18-28-25)16-20-5-3-2-4-6-20/h2-8,11,14-15,18,22H,9-10,12-13,16-17H2,1H3
InChIKeyNSBIALIUYQEBEH-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.23
Rot. Bonds6

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

7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (PubChem CID 70683187) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
PubChem CID70683187
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESCc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)nc1
InChIInChI=1S/C25H27N5O/c1-19-7-8-21(26-15-19)17-29-12-9-22(10-13-29)31-25-23-11-14-30(24(23)27-18-28-25)16-20-5-3-2-4-6-20/h2-8,11,14-15,18,22H,9-10,12-13,16-17H2,1H3
InChIKeyNSBIALIUYQEBEH-UHFFFAOYSA-N
XLogP4.23
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.23
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-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (CID 70683187) is 7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is Cc1ccc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)nc1.
What is the InChIKey of 7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The InChIKey is NSBIALIUYQEBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-19-7-8-21(26-15-19)17-29-12-9-22(10-13-29)31-25-23-11-14-30(24(23)27-18-28-25)16-20-5-3-2-4-6-20/h2-8,11,14-15,18,22H,9-10,12-13,16-17H2,1H3.
What are the key properties of 7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
7-benzyl-4-[1-[(5-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine has a molecular weight of 413.53 g/mol, XLogP of 4.23, 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-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 70683187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).