[4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

C22H22N4O2 — CID 126448387

IUPAC[4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESCOc1cccnc1-c1ccc(C(=O)N2CCC[C@H](c3ccncn3)C2)cc1
InChIInChI=1S/C22H22N4O2/c1-28-20-5-2-11-24-21(20)16-6-8-17(9-7-16)22(27)26-13-3-4-18(14-26)19-10-12-23-15-25-19/h2,5-12,15,18H,3-4,13-14H2,1H3/t18-/m0/s1
InChIKeyWAWUICACOLQRDR-SFHVURJKSA-N
MW374.44 g/mol
LogP3.57
Rot. Bonds4

About [4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone

[4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (PubChem CID 126448387) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is [4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
PubChem CID126448387
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name[4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
SMILESCOc1cccnc1-c1ccc(C(=O)N2CCC[C@H](c3ccncn3)C2)cc1
InChIInChI=1S/C22H22N4O2/c1-28-20-5-2-11-24-21(20)16-6-8-17(9-7-16)22(27)26-13-3-4-18(14-26)19-10-12-23-15-25-19/h2,5-12,15,18H,3-4,13-14H2,1H3/t18-/m0/s1
InChIKeyWAWUICACOLQRDR-SFHVURJKSA-N
XLogP3.57
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone with MolForge

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Related Compounds

(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
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 126440128
[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124996356
2-(2-methoxyphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124971378
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
(4-methylphenyl)-(3-pyridin-2-ylpiperidin-1-yl)methanone
CID 121451790
[2-(4-fluorophenyl)phenyl]-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 99994862
[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818963
[(3R)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818955
2-(2-methoxy-5-methylphenyl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethanone
CID 124956873
(1-methylimidazol-2-yl)-[(3R)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124980175

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The IUPAC name of [4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone (CID 126448387) is [4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is COc1cccnc1-c1ccc(C(=O)N2CCC[C@H](c3ccncn3)C2)cc1.
What is the InChIKey of [4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
The InChIKey is WAWUICACOLQRDR-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-20-5-2-11-24-21(20)16-6-8-17(9-7-16)22(27)26-13-3-4-18(14-26)19-10-12-23-15-25-19/h2,5-12,15,18H,3-4,13-14H2,1H3/t18-/m0/s1.
What are the key properties of [4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone?
[4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-2-pyridinyl)phenyl]-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 126448387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).