(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

C19H19N5O3 — CID 26781814

IUPAC(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESCc1ccn2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2c1
InChIInChI=1S/C19H19N5O3/c1-14-6-7-23-13-17(20-18(23)12-14)19(25)22-10-8-21(9-11-22)15-2-4-16(5-3-15)24(26)27/h2-7,12-13H,8-11H2,1H3
InChIKeyDFRBIZLVZSVKNN-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.51
Rot. Bonds3

About (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone (PubChem CID 26781814) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
PubChem CID26781814
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
SMILESCc1ccn2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2c1
InChIInChI=1S/C19H19N5O3/c1-14-6-7-23-13-17(20-18(23)12-14)19(25)22-10-8-21(9-11-22)15-2-4-16(5-3-15)24(26)27/h2-7,12-13H,8-11H2,1H3
InChIKeyDFRBIZLVZSVKNN-UHFFFAOYSA-N
XLogP2.51
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 25398177
(3-methyl-2-nitrophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 4180736
(3-methyl-4-nitrophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3118731
1-[4-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazin-1-yl]-2-phenoxyethanone
CID 28685413
imidazo[1,2-a]pyridin-2-yl-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone
CID 26765089
(2,5-dimethylthiophen-3-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 9273216
1-(4-methylphenyl)-4-(4-nitrophenyl)piperazine
CID 12668784
(2-methylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3113445
[2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazol-4-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 3891166
(3-bromo-2-hydroxy-5-methylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 60550689
[2-tert-butyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42877466
[4-(4-methoxyphenyl)piperazin-1-yl]-(4-nitrophenyl)methanone
CID 806461

Frequently Asked Questions

What is the IUPAC name of (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The IUPAC name of (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone (CID 26781814) is (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone is Cc1ccn2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)nc2c1.
What is the InChIKey of (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
The InChIKey is DFRBIZLVZSVKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-14-6-7-23-13-17(20-18(23)12-14)19(25)22-10-8-21(9-11-22)15-2-4-16(5-3-15)24(26)27/h2-7,12-13H,8-11H2,1H3.
What are the key properties of (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone?
(7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone has a molecular weight of 365.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylimidazo[1,2-a]pyridin-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 26781814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).