(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

C15H17BrN4O — CID 134160568

IUPAC(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCCN(C(=O)c3cncc(Br)c3)C2)cn1
InChIInChI=1S/C15H17BrN4O/c1-19-9-13(7-18-19)11-3-2-4-20(10-11)15(21)12-5-14(16)8-17-6-12/h5-9,11H,2-4,10H2,1H3
InChIKeyUXIMYULUYGGHJV-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.60
Rot. Bonds2

About (5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 134160568) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID134160568
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCn1cc(C2CCCN(C(=O)c3cncc(Br)c3)C2)cn1
InChIInChI=1S/C15H17BrN4O/c1-19-9-13(7-18-19)11-3-2-4-20(10-11)15(21)12-5-14(16)8-17-6-12/h5-9,11H,2-4,10H2,1H3
InChIKeyUXIMYULUYGGHJV-UHFFFAOYSA-N
XLogP2.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23907944
(5-bromo-3-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63079740
(5-bromo-3-pyridinyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51120868
(5-bromo-3-pyridinyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422045
1-(5-bromopyridine-3-carbonyl)-N-butylpiperidine-3-carboxamide
CID 49407564
[3-(2-aminoethyl)piperidin-1-yl]-(5-bromo-3-pyridinyl)methanone;dihydrochloride
CID 120727734
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
(5-bromo-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106669648
(5-bromo-3-pyridinyl)-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90586983
(5-bromo-3-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64598733
indolizin-2-yl-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 126792701
N-[4-[5-[(3S)-1-(5-bromopyridine-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897480

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (CID 134160568) is (5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is Cn1cc(C2CCCN(C(=O)c3cncc(Br)c3)C2)cn1.
What is the InChIKey of (5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is UXIMYULUYGGHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-19-9-13(7-18-19)11-3-2-4-20(10-11)15(21)12-5-14(16)8-17-6-12/h5-9,11H,2-4,10H2,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
(5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 349.23 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-[3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 134160568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).