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

C25H27N5O — CID 70681068

IUPAC7-benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESCc1cccnc1CN1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1
InChIInChI=1S/C25H27N5O/c1-19-6-5-12-26-23(19)17-29-13-9-21(10-14-29)31-25-22-11-15-30(24(22)27-18-28-25)16-20-7-3-2-4-8-20/h2-8,11-12,15,18,21H,9-10,13-14,16-17H2,1H3
InChIKeyTZUOZTCIJCIQGB-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.23
Rot. Bonds6

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

7-benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (PubChem CID 70681068) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 7-benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
PubChem CID70681068
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name7-benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESCc1cccnc1CN1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1
InChIInChI=1S/C25H27N5O/c1-19-6-5-12-26-23(19)17-29-13-9-21(10-14-29)31-25-22-11-15-30(24(22)27-18-28-25)16-20-7-3-2-4-8-20/h2-8,11-12,15,18,21H,9-10,13-14,16-17H2,1H3
InChIKeyTZUOZTCIJCIQGB-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-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (CID 70681068) is 7-benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is Cc1cccnc1CN1CCC(Oc2ncnc3c2ccn3Cc2ccccc2)CC1.
What is the InChIKey of 7-benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The InChIKey is TZUOZTCIJCIQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-19-6-5-12-26-23(19)17-29-13-9-21(10-14-29)31-25-22-11-15-30(24(22)27-18-28-25)16-20-7-3-2-4-8-20/h2-8,11-12,15,18,21H,9-10,13-14,16-17H2,1H3.
What are the key properties of 7-benzyl-4-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
7-benzyl-4-[1-[(3-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-[(3-methyl-2-pyridinyl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 70681068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).