N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

C21H14FN5O2 — CID 72890538

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc2nonc2c1)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C21H14FN5O2/c22-16-5-2-14(3-6-16)19-12-27-11-15(4-8-20(27)24-19)21(28)23-10-13-1-7-17-18(9-13)26-29-25-17/h1-9,11-12H,10H2,(H,23,28)
InChIKeyMWVZJEQTCAMPKB-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.61
Rot. Bonds4

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 72890538) has the molecular formula C21H14FN5O2 and a molecular weight of 387.37 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID72890538
Molecular FormulaC21H14FN5O2
Molecular Weight387.37 g/mol
Exact Mass387.11
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc2nonc2c1)c1ccc2nc(-c3ccc(F)cc3)cn2c1
InChIInChI=1S/C21H14FN5O2/c22-16-5-2-14(3-6-16)19-12-27-11-15(4-8-20(27)24-19)21(28)23-10-13-1-7-17-18(9-13)26-29-25-17/h1-9,11-12H,10H2,(H,23,28)
InChIKeyMWVZJEQTCAMPKB-UHFFFAOYSA-N
XLogP3.61
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 97192179
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72851675
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72874953
2-phenyl-N-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72935701
4-fluoro-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761184
3-amino-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]propanamide
CID 39187166
N-(2,1,3-benzoxadiazol-5-ylmethyl)-4-ethynyl-3-methylbenzamide
CID 166387692
2-(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 69410874
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
CID 3455990
N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 97194005
2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97192955
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 72890538) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc2nonc2c1)c1ccc2nc(-c3ccc(F)cc3)cn2c1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is MWVZJEQTCAMPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O2/c22-16-5-2-14(3-6-16)19-12-27-11-15(4-8-20(27)24-19)21(28)23-10-13-1-7-17-18(9-13)26-29-25-17/h1-9,11-12H,10H2,(H,23,28).
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 387.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 72890538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).