2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C26H35N5O2 — CID 92629427

IUPAC2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCN(CC)CC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2
InChIInChI=1S/C26H35N5O2/c1-4-29(5-2)18-24(33)30-15-10-9-13-22(30)25-27-19(3)21-17-23(32)31(26(21)28-25)16-14-20-11-7-6-8-12-20/h6-8,11-12,22H,4-5,9-10,13-18H2,1-3H3/t22-/m1/s1
InChIKeyJGOUNMXQEQUJRE-JOCHJYFZSA-N
MW449.60 g/mol
LogP3.31
Rot. Bonds8

About 2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 92629427) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID92629427
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCN(CC)CC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2
InChIInChI=1S/C26H35N5O2/c1-4-29(5-2)18-24(33)30-15-10-9-13-22(30)25-27-19(3)21-17-23(32)31(26(21)28-25)16-14-20-11-7-6-8-12-20/h6-8,11-12,22H,4-5,9-10,13-18H2,1-3H3/t22-/m1/s1
InChIKeyJGOUNMXQEQUJRE-JOCHJYFZSA-N
XLogP3.31
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-7-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95831954
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629786
4-methyl-2-[(2S)-1-(3-methylbutanoyl)piperidin-2-yl]-7-(3-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95831940
4-methyl-2-[1-(3-methylbutanoyl)piperidin-2-yl]-7-(3-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261581
4-methyl-7-(2-phenylethyl)-2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95840103
2-[(2R)-1-(2-methoxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631416
4-methyl-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629556
N-[2-[(2R)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92630420
N-[2-[2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110261732
N-[2-[(2R)-2-(7-benzyl-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92630611
7-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-propanoylpiperidin-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261597
2-[(2R)-1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-7-[2-(2-fluorophenyl)ethyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95832023

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 92629427) is 2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCN(CC)CC(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)C2.
What is the InChIKey of 2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is JGOUNMXQEQUJRE-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-4-29(5-2)18-24(33)30-15-10-9-13-22(30)25-27-19(3)21-17-23(32)31(26(21)28-25)16-14-20-11-7-6-8-12-20/h6-8,11-12,22H,4-5,9-10,13-18H2,1-3H3/t22-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 449.60 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(diethylamino)acetyl]piperidin-2-yl]-4-methyl-7-(2-phenylethyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 92629427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).