4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde

C14H16N4O2 — CID 110704162

IUPAC4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde
SMILESCc1cn2cc(C(=O)N3CCN(C=O)CC3)ccc2n1
InChIInChI=1S/C14H16N4O2/c1-11-8-18-9-12(2-3-13(18)15-11)14(20)17-6-4-16(10-19)5-7-17/h2-3,8-10H,4-7H2,1H3
InChIKeyGACRVUNYXSPGLU-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.56
Rot. Bonds2

About 4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde

4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde (PubChem CID 110704162) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde
PubChem CID110704162
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde
SMILESCc1cn2cc(C(=O)N3CCN(C=O)CC3)ccc2n1
InChIInChI=1S/C14H16N4O2/c1-11-8-18-9-12(2-3-13(18)15-11)14(20)17-6-4-16(10-19)5-7-17/h2-3,8-10H,4-7H2,1H3
InChIKeyGACRVUNYXSPGLU-UHFFFAOYSA-N
XLogP0.56
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methylimidazo[1,2-a]pyridin-6-yl)-piperidin-1-ylmethanone
CID 110704149
(2-methylimidazo[1,2-a]pyridin-6-yl)-(4-methylpiperidin-1-yl)methanone
CID 110704151
(4,4-difluoropiperidin-1-yl)-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 70734580
4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109044219
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
4-(4-iodobenzoyl)piperazine-1-carbaldehyde
CID 875264
4-(4-amino-3-methylbenzoyl)piperazine-1-carbaldehyde
CID 28748690
4-(2-methyl-1,3-benzoxazole-5-carbonyl)piperazine-1-carbaldehyde
CID 110387912
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
4-(6-methylpyridazine-3-carbonyl)piperazine-1-carbaldehyde
CID 110705200
4-(4-methylsulfonylbenzoyl)piperazine-1-carbaldehyde
CID 110764797
[4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-6-yl)methanone
CID 70761813

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde (CID 110704162) is 4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde is Cc1cn2cc(C(=O)N3CCN(C=O)CC3)ccc2n1.
What is the InChIKey of 4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is GACRVUNYXSPGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-11-8-18-9-12(2-3-13(18)15-11)14(20)17-6-4-16(10-19)5-7-17/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde?
4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 272.31 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazo[1,2-a]pyridine-6-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110704162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).