[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

C20H19FN4O2 — CID 122257413

IUPAC[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C20H19FN4O2/c21-16-6-4-14(5-7-16)15-11-18(24-12-15)19(26)25-10-1-3-17(13-25)27-20-22-8-2-9-23-20/h2,4-9,11-12,17,24H,1,3,10,13H2
InChIKeyKJDMMUZGKSQNHV-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.29
Rot. Bonds4

About [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone

[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (PubChem CID 122257413) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
PubChem CID122257413
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C20H19FN4O2/c21-16-6-4-14(5-7-16)15-11-18(24-12-15)19(26)25-10-1-3-17(13-25)27-20-22-8-2-9-23-20/h2,4-9,11-12,17,24H,1,3,10,13H2
InChIKeyKJDMMUZGKSQNHV-UHFFFAOYSA-N
XLogP3.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636217
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
[3-(4-fluorophenyl)azepan-1-yl]-[4-(4-fluorophenyl)-1H-pyrrol-2-yl]methanone
CID 121146282
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-2-yl)methanone
CID 119100757
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 122258470
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[(3R)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 129356808
(3-methylsulfanylphenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267106
4-[3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
CID 122258532
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102331
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257485

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone (CID 122257413) is [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is KJDMMUZGKSQNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-6-4-14(5-7-16)15-11-18(24-12-15)19(26)25-10-1-3-17(13-25)27-20-22-8-2-9-23-20/h2,4-9,11-12,17,24H,1,3,10,13H2.
What are the key properties of [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone?
[4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 366.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1H-pyrrol-2-yl]-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122257413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).