N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide

C25H21N5O5 — CID 162371957

IUPACN-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCC(=O)N1CC=C(c2ccn3c(-c4ccc(NC(=O)c5ccc([N+](=O)[O-])o5)cc4)cnc3c2)CC1
InChIInChI=1S/C25H21N5O5/c1-16(31)28-11-8-17(9-12-28)19-10-13-29-21(15-26-23(29)14-19)18-2-4-20(5-3-18)27-25(32)22-6-7-24(35-22)30(33)34/h2-8,10,13-15H,9,11-12H2,1H3,(H,27,32)
InChIKeyVLRJSYPGGVKGLV-UHFFFAOYSA-N
MW471.47 g/mol
LogP4.39
Rot. Bonds5

About N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide

N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide (PubChem CID 162371957) has the molecular formula C25H21N5O5 and a molecular weight of 471.47 g/mol. Its IUPAC name is N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide
PubChem CID162371957
Molecular FormulaC25H21N5O5
Molecular Weight471.47 g/mol
Exact Mass471.15
IUPAC NameN-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide
SMILESCC(=O)N1CC=C(c2ccn3c(-c4ccc(NC(=O)c5ccc([N+](=O)[O-])o5)cc4)cnc3c2)CC1
InChIInChI=1S/C25H21N5O5/c1-16(31)28-11-8-17(9-12-28)19-10-13-29-21(15-26-23(29)14-19)18-2-4-20(5-3-18)27-25(32)22-6-7-24(35-22)30(33)34/h2-8,10,13-15H,9,11-12H2,1H3,(H,27,32)
InChIKeyVLRJSYPGGVKGLV-UHFFFAOYSA-N
XLogP4.39
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide 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

N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 1104205
5-nitro-N-(1-propylbenzimidazol-2-yl)furan-2-carboxamide
CID 24980351
N-(3-(imidazo[1,2-a]pyrimidin-2-yl)phenyl)furan-2-carboxamide
CID 3242306
2-(5-methylfuran-2-yl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 9550690
4-[8-(4-Morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]furan-2-carboxamide
CID 57395763
furan-2-yl-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 137479154
3-{3-[(Furan-2-ylmethyl)-amino]-7-methyl-imidazo[1,2-a]pyridin-2-yl}-6-methyl-1H-quinolin-2-one
CID 649670
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-furamide
CID 852162
5-bromo-N-(4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)furan-2-carboxamide
CID 983655
5-nitro-N-[4-(2-oxazolo[4,5-b]pyridinyl)phenyl]-2-furancarboxamide
CID 1104203
N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 1104204
5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-furamide
CID 3241738

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide?
The IUPAC name of N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide (CID 162371957) is N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide.
What is the SMILES notation for N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide?
The canonical SMILES for N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide is CC(=O)N1CC=C(c2ccn3c(-c4ccc(NC(=O)c5ccc([N+](=O)[O-])o5)cc4)cnc3c2)CC1.
What is the InChIKey of N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide?
The InChIKey is VLRJSYPGGVKGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O5/c1-16(31)28-11-8-17(9-12-28)19-10-13-29-21(15-26-23(29)14-19)18-2-4-20(5-3-18)27-25(32)22-6-7-24(35-22)30(33)34/h2-8,10,13-15H,9,11-12H2,1H3,(H,27,32).
What are the key properties of N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide?
N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide has a molecular weight of 471.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5-nitrofuran-2-carboxamide is sourced from PubChem (CID 162371957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).