2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone

C23H29N5O — CID 110264179

IUPAC2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCc1cc(C)nc(Nc2ccc(C3CCN(C(=O)CC4C=CCC4)CC3)nc2)n1
InChIInChI=1S/C23H29N5O/c1-16-13-17(2)26-23(25-16)27-20-7-8-21(24-15-20)19-9-11-28(12-10-19)22(29)14-18-5-3-4-6-18/h3,5,7-8,13,15,18-19H,4,6,9-12,14H2,1-2H3,(H,25,26,27)
InChIKeyZNHBHQIVVPOBJG-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.29
Rot. Bonds5

About 2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone

2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110264179) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110264179
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESCc1cc(C)nc(Nc2ccc(C3CCN(C(=O)CC4C=CCC4)CC3)nc2)n1
InChIInChI=1S/C23H29N5O/c1-16-13-17(2)26-23(25-16)27-20-7-8-21(24-15-20)19-9-11-28(12-10-19)22(29)14-18-5-3-4-6-18/h3,5,7-8,13,15,18-19H,4,6,9-12,14H2,1-2H3,(H,25,26,27)
InChIKeyZNHBHQIVVPOBJG-UHFFFAOYSA-N
XLogP4.29
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-spiro[2.3]hexan-2-ylmethanone
CID 110264183
1-[4-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 92617091
2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95834120
1-[3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 110252329
2-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 95834221
3-(3-chlorophenyl)-1-[(3R)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95813698
2-cyclopent-2-en-1-yl-1-[4-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 132771058
2-[(2R)-2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 95813297
(3S)-3-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95813591
2-[2-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 110252149
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2,3,5-trimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]ethanone
CID 92598280
1-[1-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 129469400

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone (CID 110264179) is 2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone is Cc1cc(C)nc(Nc2ccc(C3CCN(C(=O)CC4C=CCC4)CC3)nc2)n1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is ZNHBHQIVVPOBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-13-17(2)26-23(25-16)27-20-7-8-21(24-15-20)19-9-11-28(12-10-19)22(29)14-18-5-3-4-6-18/h3,5,7-8,13,15,18-19H,4,6,9-12,14H2,1-2H3,(H,25,26,27).
What are the key properties of 2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone?
2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 391.52 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-[4-[5-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110264179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).