2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide

C30H20F3N5O — CID 71667099

IUPAC2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESO=C(NCc1cncc(F)c1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C30H20F3N5O/c31-23-9-19(13-34-15-23)14-37-30(39)25-5-4-20(11-26(25)32)22-12-27(33)29-36-16-24(38(29)17-22)10-18-3-6-28-21(8-18)2-1-7-35-28/h1-9,11-13,15-17H,10,14H2,(H,37,39)
InChIKeyFXILQECEKNJHKF-UHFFFAOYSA-N
MW523.52 g/mol
LogP5.88
Rot. Bonds6

About 2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide

2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide (PubChem CID 71667099) has the molecular formula C30H20F3N5O and a molecular weight of 523.52 g/mol. Its IUPAC name is 2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide
PubChem CID71667099
Molecular FormulaC30H20F3N5O
Molecular Weight523.52 g/mol
Exact Mass523.16
IUPAC Name2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESO=C(NCc1cncc(F)c1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F
InChIInChI=1S/C30H20F3N5O/c31-23-9-19(13-34-15-23)14-37-30(39)25-5-4-20(11-26(25)32)22-12-27(33)29-36-16-24(38(29)17-22)10-18-3-6-28-21(8-18)2-1-7-35-28/h1-9,11-13,15-17H,10,14H2,(H,37,39)
InChIKeyFXILQECEKNJHKF-UHFFFAOYSA-N
XLogP5.88
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.52
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N',N'-diethyl-N-[[2-fluoro-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]phenyl]methyl]ethane-1,2-diamine
CID 123313201
2-fluoro-N-methyl-4-[6-(quinolin-6-ylmethyl)pyrrolo[1,2-b][1,2,4]triazin-3-yl]benzamide
CID 166940190
2-fluoro-N-propyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 134566434
2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-6-yl]benzamide
CID 102340777
2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]benzamide
CID 122179445
N-cyclopropyl-2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 59420970
2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoic acid;dihydrochloride
CID 67027449
2-fluoro-N-[(1S,2S)-2-hydroxycyclopentyl]-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 59420964
2-fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
CID 59420921
2-[[2-fluoro-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzoyl]amino]-3,3-dimethylbutanoic acid
CID 77243604
2-fluoro-N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide
CID 24779725
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The IUPAC name of 2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide (CID 71667099) is 2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide is O=C(NCc1cncc(F)c1)c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F.
What is the InChIKey of 2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The InChIKey is FXILQECEKNJHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20F3N5O/c31-23-9-19(13-34-15-23)14-37-30(39)25-5-4-20(11-26(25)32)22-12-27(33)29-36-16-24(38(29)17-22)10-18-3-6-28-21(8-18)2-1-7-35-28/h1-9,11-13,15-17H,10,14H2,(H,37,39).
What are the key properties of 2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide has a molecular weight of 523.52 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-fluoro-3-pyridinyl)methyl]-4-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 71667099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).