(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone

C14H17N5O — CID 119580052

IUPAC(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(-n3ccnc3)nc2)CCN1
InChIInChI=1S/C14H17N5O/c1-11-9-18(7-5-16-11)14(20)12-2-3-13(17-8-12)19-6-4-15-10-19/h2-4,6,8,10-11,16H,5,7,9H2,1H3
InChIKeyBJSLZBSAWQHPPV-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.70
Rot. Bonds2

About (6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone

(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone (PubChem CID 119580052) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is (6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
PubChem CID119580052
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc(-n3ccnc3)nc2)CCN1
InChIInChI=1S/C14H17N5O/c1-11-9-18(7-5-16-11)14(20)12-2-3-13(17-8-12)19-6-4-15-10-19/h2-4,6,8,10-11,16H,5,7,9H2,1H3
InChIKeyBJSLZBSAWQHPPV-UHFFFAOYSA-N
XLogP0.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
(6-imidazol-1-yl-3-pyridinyl)-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95586250
(6-imidazol-1-yl-3-pyridinyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 48689832
[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 95583611
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
(6-imidazol-1-yl-3-pyridinyl)-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105279
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726
[(3S)-3-methylpiperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124693440
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 38210690
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 81426962
(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921306

Frequently Asked Questions

What is the IUPAC name of (6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone (CID 119580052) is (6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc(-n3ccnc3)nc2)CCN1.
What is the InChIKey of (6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone?
The InChIKey is BJSLZBSAWQHPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-11-9-18(7-5-16-11)14(20)12-2-3-13(17-8-12)19-6-4-15-10-19/h2-4,6,8,10-11,16H,5,7,9H2,1H3.
What are the key properties of (6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone?
(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119580052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).