N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C23H25ClF3N5O — CID 2796284

IUPACN-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C23H25ClF3N5O/c24-19-13-18(23(25,26)27)15-32-16-20(29-21(19)32)22(33)28-7-4-8-30-9-11-31(12-10-30)14-17-5-2-1-3-6-17/h1-3,5-6,13,15-16H,4,7-12,14H2,(H,28,33)
InChIKeyLQJQYHVGMQGFDO-UHFFFAOYSA-N
MW479.93 g/mol
LogP3.94
Rot. Bonds7

About N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 2796284) has the molecular formula C23H25ClF3N5O and a molecular weight of 479.93 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID2796284
Molecular FormulaC23H25ClF3N5O
Molecular Weight479.93 g/mol
Exact Mass479.17
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1
InChIInChI=1S/C23H25ClF3N5O/c24-19-13-18(23(25,26)27)15-32-16-20(29-21(19)32)22(33)28-7-4-8-30-9-11-31(12-10-30)14-17-5-2-1-3-6-17/h1-3,5-6,13,15-16H,4,7-12,14H2,(H,28,33)
InChIKeyLQJQYHVGMQGFDO-UHFFFAOYSA-N
XLogP3.94
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.93
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 2725939
8-chloro-N'-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbonyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208477
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888
N-[3-(4-benzylpiperazin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 87010295
[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110208453
N-[3-(4-benzylpiperazin-1-yl)propyl]indolizine-2-carboxamide
CID 46388331
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(2-hydroxyethyl)urea
CID 110894265
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 46447531
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46416964
8-chloro-N'-(4-fluorophenyl)sulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carbohydrazide
CID 110208487
8-chloro-N-pyridin-3-ylsulfonyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide;hydrochloride
CID 162331453
N-[3-(4-benzylpiperazin-1-yl)propyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 55852638

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 2796284) is N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NCCCN1CCN(Cc2ccccc2)CC1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is LQJQYHVGMQGFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF3N5O/c24-19-13-18(23(25,26)27)15-32-16-20(29-21(19)32)22(33)28-7-4-8-30-9-11-31(12-10-30)14-17-5-2-1-3-6-17/h1-3,5-6,13,15-16H,4,7-12,14H2,(H,28,33).
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 479.93 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propyl]-8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 2796284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).