7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine

C22H24N6O — CID 70681066

IUPAC7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESc1ccc(Cn2ccc3c(OC4CCN(Cc5ccn[nH]5)CC4)ncnc32)cc1
InChIInChI=1S/C22H24N6O/c1-2-4-17(5-3-1)14-28-13-9-20-21(28)23-16-24-22(20)29-19-7-11-27(12-8-19)15-18-6-10-25-26-18/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2,(H,25,26)
InChIKeyOSJJIKYRJDAQIS-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.25
Rot. Bonds6

About 7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine

7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (PubChem CID 70681066) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
PubChem CID70681066
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine
SMILESc1ccc(Cn2ccc3c(OC4CCN(Cc5ccn[nH]5)CC4)ncnc32)cc1
InChIInChI=1S/C22H24N6O/c1-2-4-17(5-3-1)14-28-13-9-20-21(28)23-16-24-22(20)29-19-7-11-27(12-8-19)15-18-6-10-25-26-18/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2,(H,25,26)
InChIKeyOSJJIKYRJDAQIS-UHFFFAOYSA-N
XLogP3.25
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The IUPAC name of 7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine (CID 70681066) is 7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is c1ccc(Cn2ccc3c(OC4CCN(Cc5ccn[nH]5)CC4)ncnc32)cc1.
What is the InChIKey of 7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
The InChIKey is OSJJIKYRJDAQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-2-4-17(5-3-1)14-28-13-9-20-21(28)23-16-24-22(20)29-19-7-11-27(12-8-19)15-18-6-10-25-26-18/h1-6,9-10,13,16,19H,7-8,11-12,14-15H2,(H,25,26).
What are the key properties of 7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine?
7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine has a molecular weight of 388.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-[1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]oxypyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 70681066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).