7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C24H24N6O2 — CID 92631494

IUPAC7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2Cc1ccccc1
InChIInChI=1S/C24H24N6O2/c1-16-19-12-21(31)30(14-17-6-3-2-4-7-17)23(19)28-22(27-16)18-8-5-11-29(15-18)24(32)20-13-25-9-10-26-20/h2-4,6-7,9-10,13,18H,5,8,11-12,14-15H2,1H3/t18-/m1/s1
InChIKeyCJBXXNHOAPTJGY-GOSISDBHSA-N
MW428.50 g/mol
LogP2.68
Rot. Bonds4

About 7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 92631494) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID92631494
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2Cc1ccccc1
InChIInChI=1S/C24H24N6O2/c1-16-19-12-21(31)30(14-17-6-3-2-4-7-17)23(19)28-22(27-16)18-8-5-11-29(15-18)24(32)20-13-25-9-10-26-20/h2-4,6-7,9-10,13,18H,5,8,11-12,14-15H2,1H3/t18-/m1/s1
InChIKeyCJBXXNHOAPTJGY-GOSISDBHSA-N
XLogP2.68
TPSA92.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 92631494) is 7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)nc2c1CC(=O)N2Cc1ccccc1.
What is the InChIKey of 7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is CJBXXNHOAPTJGY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-16-19-12-21(31)30(14-17-6-3-2-4-7-17)23(19)28-22(27-16)18-8-5-11-29(15-18)24(32)20-13-25-9-10-26-20/h2-4,6-7,9-10,13,18H,5,8,11-12,14-15H2,1H3/t18-/m1/s1.
What are the key properties of 7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 428.50 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4-methyl-2-[(3R)-1-(pyrazine-2-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 92631494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).