N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide

C25H22N4O3 — CID 83289973

IUPACN-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
SMILESO=C(CCc1c(-c2ccccc2)nc2ccc(-c3cccc([N+](=O)[O-])c3)cn12)NC1CC1
InChIInChI=1S/C25H22N4O3/c30-24(26-20-10-11-20)14-12-22-25(17-5-2-1-3-6-17)27-23-13-9-19(16-28(22)23)18-7-4-8-21(15-18)29(31)32/h1-9,13,15-16,20H,10-12,14H2,(H,26,30)
InChIKeyRPNDEMDGAMGTAA-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.79
Rot. Bonds7

About N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide

N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 83289973) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
PubChem CID83289973
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
SMILESO=C(CCc1c(-c2ccccc2)nc2ccc(-c3cccc([N+](=O)[O-])c3)cn12)NC1CC1
InChIInChI=1S/C25H22N4O3/c30-24(26-20-10-11-20)14-12-22-25(17-5-2-1-3-6-17)27-23-13-9-19(16-28(22)23)18-7-4-8-21(15-18)29(31)32/h1-9,13,15-16,20H,10-12,14H2,(H,26,30)
InChIKeyRPNDEMDGAMGTAA-UHFFFAOYSA-N
XLogP4.79
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 83285453
3-[2-(4-chlorophenyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-cyclopropylpropanamide
CID 83289107
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
CID 83274888
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-nitrophenyl)methanone
CID 83290005
3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-N-cyclohexylpropanamide
CID 53036661
(3-fluorophenyl)-[4-[[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83279212
methyl 2-[[4-[[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]sulfonylmethyl]benzoate
CID 91634339
cyclobutyl-[4-[[2-(4-fluorophenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 91634833
(3-methoxycyclohexyl)-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83274408
(4-methylphenyl)-[4-[[2-(3-nitrophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83288876
(4-methoxyphenyl)-[4-[[2-(4-methoxyphenyl)-6-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83275123
3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridine
CID 83275417

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide (CID 83289973) is N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide is O=C(CCc1c(-c2ccccc2)nc2ccc(-c3cccc([N+](=O)[O-])c3)cn12)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?
The InChIKey is RPNDEMDGAMGTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c30-24(26-20-10-11-20)14-12-22-25(17-5-2-1-3-6-17)27-23-13-9-19(16-28(22)23)18-7-4-8-21(15-18)29(31)32/h1-9,13,15-16,20H,10-12,14H2,(H,26,30).
What are the key properties of N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?
N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 426.48 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 83289973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).