[2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone

C16H17N5O — CID 125419699

IUPAC[2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)c2ccnc(-c3ncc[nH]3)c2)CC1
InChIInChI=1S/C16H17N5O/c1-2-7-20-8-10-21(11-9-20)16(22)13-3-4-17-14(12-13)15-18-5-6-19-15/h1,3-6,12H,7-11H2,(H,18,19)
InChIKeyOKGORLXXWUWGPI-UHFFFAOYSA-N
MW295.35 g/mol
LogP0.86
Rot. Bonds3

About [2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone

[2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone (PubChem CID 125419699) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is [2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
PubChem CID125419699
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name[2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone
SMILESC#CCN1CCN(C(=O)c2ccnc(-c3ncc[nH]3)c2)CC1
InChIInChI=1S/C16H17N5O/c1-2-7-20-8-10-21(11-9-20)16(22)13-3-4-17-14(12-13)15-18-5-6-19-15/h1,3-6,12H,7-11H2,(H,18,19)
InChIKeyOKGORLXXWUWGPI-UHFFFAOYSA-N
XLogP0.86
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-ethynylmorpholin-4-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
CID 154796639
[4-(5-fluoro-3-pyridinyl)piperazin-1-yl]-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
CID 154850598
(4-chloro-1,3-dihydroisoindol-2-yl)-[2-(1H-imidazol-2-yl)-4-pyridinyl]methanone
CID 136545133
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390
[2-(1H-imidazol-2-yl)-4-pyridinyl]-[4-(4-methoxyphenyl)piperidin-1-yl]methanone
CID 154858565
(4-aminophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54905926
(5-hydroxy-3-pyridinyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 63860956
[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
CID 138672421
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95708619
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[2-[3-(1H-pyrazol-5-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 28881895
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580

Frequently Asked Questions

What is the IUPAC name of [2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
The IUPAC name of [2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone (CID 125419699) is [2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone is C#CCN1CCN(C(=O)c2ccnc(-c3ncc[nH]3)c2)CC1.
What is the InChIKey of [2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
The InChIKey is OKGORLXXWUWGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-7-20-8-10-21(11-9-20)16(22)13-3-4-17-14(12-13)15-18-5-6-19-15/h1,3-6,12H,7-11H2,(H,18,19).
What are the key properties of [2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone?
[2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone has a molecular weight of 295.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-imidazol-2-yl)-4-pyridinyl]-(4-prop-2-ynylpiperazin-1-yl)methanone is sourced from PubChem (CID 125419699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).