2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

C26H20FN5O — CID 90919373

IUPAC2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1CF
InChIInChI=1S/C26H20FN5O/c27-12-18-10-16(3-5-21(18)24(28)33)19-13-30-25-31-14-23(32(25)15-19)26(7-8-26)20-4-6-22-17(11-20)2-1-9-29-22/h1-6,9-11,13-15H,7-8,12H2,(H2,28,33)
InChIKeyGNNJEBMQOREKHA-UHFFFAOYSA-N
MW437.48 g/mol
LogP4.59
Rot. Bonds5

About 2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 90919373) has the molecular formula C26H20FN5O and a molecular weight of 437.48 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound Name2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID90919373
Molecular FormulaC26H20FN5O
Molecular Weight437.48 g/mol
Exact Mass437.17
IUPAC Name2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1CF
InChIInChI=1S/C26H20FN5O/c27-12-18-10-16(3-5-21(18)24(28)33)19-13-30-25-31-14-23(32(25)15-19)26(7-8-26)20-4-6-22-17(11-20)2-1-9-29-22/h1-6,9-11,13-15H,7-8,12H2,(H2,28,33)
InChIKeyGNNJEBMQOREKHA-UHFFFAOYSA-N
XLogP4.59
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoic acid;4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoic acid
CID 68812981
2-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoyl]amino]propanoic acid
CID 67224078
2-fluoro-N-(2-methoxypropyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 90999657
methyl N-fluoro-N-[[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]carbamate
CID 87315323
1-[4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]cyclopropane-1-carbonitrile
CID 25144819
6-[1-[6-(2-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]cyclopropyl]quinoline
CID 141215062
2-chloro-N-(1-pyridin-2-ylethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 59420971
3-[[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]methyl]-1,3-oxazolidin-2-one
CID 25145094
N-[1-(dimethylamino)-3-methyl-1-oxobutan-2-yl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 67223806
4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-1,3-thiazole
CID 25145098
methyl 3-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzoate
CID 67223734
N-[1-(azetidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
CID 74395988

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of 2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 90919373) is 2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for 2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for 2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is NC(=O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1CF.
What is the InChIKey of 2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is GNNJEBMQOREKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O/c27-12-18-10-16(3-5-21(18)24(28)33)19-13-30-25-31-14-23(32(25)15-19)26(7-8-26)20-4-6-22-17(11-20)2-1-9-29-22/h1-6,9-11,13-15H,7-8,12H2,(H2,28,33).
What are the key properties of 2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 437.48 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 90919373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).