2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide

C28H24FN5O2 — CID 59421025

IUPAC2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C28H24FN5O2/c1-33(2)26(36)25(35)21-7-5-17(13-22(21)29)19-14-31-27-32-15-24(34(27)16-19)28(9-10-28)20-6-8-23-18(12-20)4-3-11-30-23/h3-8,11-16,25,35H,9-10H2,1-2H3
InChIKeyBRQVQWSJKOTSPI-UHFFFAOYSA-N
MW481.53 g/mol
LogP4.29
Rot. Bonds5

About 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide

2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide (PubChem CID 59421025) has the molecular formula C28H24FN5O2 and a molecular weight of 481.53 g/mol. Its IUPAC name is 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide
PubChem CID59421025
Molecular FormulaC28H24FN5O2
Molecular Weight481.53 g/mol
Exact Mass481.19
IUPAC Name2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)C(O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C28H24FN5O2/c1-33(2)26(36)25(35)21-7-5-17(13-22(21)29)19-14-31-27-32-15-24(34(27)16-19)28(9-10-28)20-6-8-23-18(12-20)4-3-11-30-23/h3-8,11-16,25,35H,9-10H2,1-2H3
InChIKeyBRQVQWSJKOTSPI-UHFFFAOYSA-N
XLogP4.29
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide?
The IUPAC name of 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide (CID 59421025) is 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide is CN(C)C(=O)C(O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide?
The InChIKey is BRQVQWSJKOTSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O2/c1-33(2)26(36)25(35)21-7-5-17(13-22(21)29)19-14-31-27-32-15-24(34(27)16-19)28(9-10-28)20-6-8-23-18(12-20)4-3-11-30-23/h3-8,11-16,25,35H,9-10H2,1-2H3.
What are the key properties of 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide?
2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide has a molecular weight of 481.53 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N,N-dimethylacetamide is sourced from PubChem (CID 59421025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).