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

C23H26N6O — CID 70695783

IUPAC7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESCn1cc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)cn1
InChIInChI=1S/C23H26N6O/c1-27-14-19(13-26-27)15-28-10-7-20(8-11-28)30-23-21-9-12-29(22(21)24-17-25-23)16-18-5-3-2-4-6-18/h2-6,9,12-14,17,20H,7-8,10-11,15-16H2,1H3
InChIKeyAWBDRWCQXNBJQB-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.26
Rot. Bonds6

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

7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (PubChem CID 70695783) has the molecular formula C23H26N6O and a molecular weight of 402.50 g/mol. Its IUPAC name is 7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
PubChem CID70695783
Molecular FormulaC23H26N6O
Molecular Weight402.50 g/mol
Exact Mass402.22
IUPAC Name7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESCn1cc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)cn1
InChIInChI=1S/C23H26N6O/c1-27-14-19(13-26-27)15-28-10-7-20(8-11-28)30-23-21-9-12-29(22(21)24-17-25-23)16-18-5-3-2-4-6-18/h2-6,9,12-14,17,20H,7-8,10-11,15-16H2,1H3
InChIKeyAWBDRWCQXNBJQB-UHFFFAOYSA-N
XLogP3.26
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (CID 70695783) is 7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is Cn1cc(CN2CCC(Oc3ncnc4c3ccn4Cc3ccccc3)CC2)cn1.
What is the InChIKey of 7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The InChIKey is AWBDRWCQXNBJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O/c1-27-14-19(13-26-27)15-28-10-7-20(8-11-28)30-23-21-9-12-29(22(21)24-17-25-23)16-18-5-3-2-4-6-18/h2-6,9,12-14,17,20H,7-8,10-11,15-16H2,1H3.
What are the key properties of 7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine has a molecular weight of 402.50 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 70695783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).