[(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone

C23H23ClN4O3 — CID 42422121

IUPAC[(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3ncncc3-c3ccccc3Cl)C2)c(OC)n1
InChIInChI=1S/C23H23ClN4O3/c1-30-20-10-9-17(22(27-20)31-2)23(29)28-11-5-6-15(13-28)21-18(12-25-14-26-21)16-7-3-4-8-19(16)24/h3-4,7-10,12,14-15H,5-6,11,13H2,1-2H3/t15-/m1/s1
InChIKeyOLCJWPHZLMAYCF-OAHLLOKOSA-N
MW438.92 g/mol
LogP4.23
Rot. Bonds5

About [(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone

[(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone (PubChem CID 42422121) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is [(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
PubChem CID42422121
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC Name[(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
SMILESCOc1ccc(C(=O)N2CCC[C@@H](c3ncncc3-c3ccccc3Cl)C2)c(OC)n1
InChIInChI=1S/C23H23ClN4O3/c1-30-20-10-9-17(22(27-20)31-2)23(29)28-11-5-6-15(13-28)21-18(12-25-14-26-21)16-7-3-4-8-19(16)24/h3-4,7-10,12,14-15H,5-6,11,13H2,1-2H3/t15-/m1/s1
InChIKeyOLCJWPHZLMAYCF-OAHLLOKOSA-N
XLogP4.23
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone with MolForge

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Related Compounds

[(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 42379025
1-[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 45242201
(2,6-dimethoxy-3-pyridinyl)-[(3S)-3-[1-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]methanone
CID 126439973
(2,6-dimethoxy-3-pyridinyl)-[3-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192131
[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone
CID 25459630
(2-methoxy-3-pyridinyl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124942438
(2-methoxy-3-pyridinyl)-(3-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 110114882
(2-chlorophenyl)-[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 124949617
5-[[3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 56859725
[1-(4-methoxyphenyl)cyclopropyl]-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 16670493
[(3R)-3-[2-amino-5-(4-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 129456810
[(2S,4S)-1-(2,6-dimethoxypyridine-3-carbonyl)-4-phenoxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198448

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
The IUPAC name of [(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone (CID 42422121) is [(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
The canonical SMILES for [(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone is COc1ccc(C(=O)N2CCC[C@@H](c3ncncc3-c3ccccc3Cl)C2)c(OC)n1.
What is the InChIKey of [(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
The InChIKey is OLCJWPHZLMAYCF-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-30-20-10-9-17(22(27-20)31-2)23(29)28-11-5-6-15(13-28)21-18(12-25-14-26-21)16-7-3-4-8-19(16)24/h3-4,7-10,12,14-15H,5-6,11,13H2,1-2H3/t15-/m1/s1.
What are the key properties of [(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone?
[(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone has a molecular weight of 438.92 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-(2-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2,6-dimethoxy-3-pyridinyl)methanone is sourced from PubChem (CID 42422121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).