N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine

C22H25FN6O3 — CID 144548129

IUPACN-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine
SMILESCNCC1(N=O)CCNCC1.O=Cc1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C15H10FN3O2.C7H15N3O/c16-11-5-4-10(9-20)7-12(11)18-15(21)13-8-17-14-3-1-2-6-19(13)14;1-8-6-7(10-11)2-4-9-5-3-7/h1-9H,(H,18,21);8-9H,2-6H2,1H3
InChIKeySSUCBEPVBDZBLX-UHFFFAOYSA-N
MW440.48 g/mol
LogP2.63
Rot. Bonds6

About N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine

N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine (PubChem CID 144548129) has the molecular formula C22H25FN6O3 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine
PubChem CID144548129
Molecular FormulaC22H25FN6O3
Molecular Weight440.48 g/mol
Exact Mass440.20
IUPAC NameN-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine
SMILESCNCC1(N=O)CCNCC1.O=Cc1ccc(F)c(NC(=O)c2cnc3ccccn23)c1
InChIInChI=1S/C15H10FN3O2.C7H15N3O/c16-11-5-4-10(9-20)7-12(11)18-15(21)13-8-17-14-3-1-2-6-19(13)14;1-8-6-7(10-11)2-4-9-5-3-7/h1-9H,(H,18,21);8-9H,2-6H2,1H3
InChIKeySSUCBEPVBDZBLX-UHFFFAOYSA-N
XLogP2.63
TPSA116.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-fluoro-5-[2-(4-hydroxycyclohexyl)acetyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 159513812
N-[5-(cyclopentylcarbamoyl)-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71292506
N-(2-fluoro-5-methylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51335432
N-[2-fluoro-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71283125
N-[2-fluoro-5-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048591
N-[5-[[2-(4-chlorophenyl)-2-hydroxyethyl]carbamoyl]-2-fluorophenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78048635
N-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 67261310
7-bromo-N-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 178093219
N-(2-chlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46882706
N-[5-[N'-(azetidine-3-carbonyl)carbamimidoyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123638257
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120890519
N-[2-fluoro-5-[5-(1-propylsulfanylazetidin-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139515192

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine?
The IUPAC name of N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine (CID 144548129) is N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine.
What is the SMILES notation for N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine?
The canonical SMILES for N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine is CNCC1(N=O)CCNCC1.O=Cc1ccc(F)c(NC(=O)c2cnc3ccccn23)c1.
What is the InChIKey of N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine?
The InChIKey is SSUCBEPVBDZBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O2.C7H15N3O/c16-11-5-4-10(9-20)7-12(11)18-15(21)13-8-17-14-3-1-2-6-19(13)14;1-8-6-7(10-11)2-4-9-5-3-7/h1-9H,(H,18,21);8-9H,2-6H2,1H3.
What are the key properties of N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine?
N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine has a molecular weight of 440.48 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-formylphenyl)imidazo[1,2-a]pyridine-3-carboxamide;N-methyl-1-(4-nitrosopiperidin-4-yl)methanamine is sourced from PubChem (CID 144548129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).