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

C27H22FN5O2 — CID 59420906

IUPAC2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N-methylacetamide
SMILESCNC(=O)C(O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C27H22FN5O2/c1-29-25(35)24(34)20-6-4-16(12-21(20)28)18-13-31-26-32-14-23(33(26)15-18)27(8-9-27)19-5-7-22-17(11-19)3-2-10-30-22/h2-7,10-15,24,34H,8-9H2,1H3,(H,29,35)
InChIKeyBDULPCHPVMRDTB-UHFFFAOYSA-N
MW467.50 g/mol
LogP3.94
Rot. Bonds5

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

2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N-methylacetamide (PubChem CID 59420906) has the molecular formula C27H22FN5O2 and a molecular weight of 467.50 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-methylacetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N-methylacetamide
PubChem CID59420906
Molecular FormulaC27H22FN5O2
Molecular Weight467.50 g/mol
Exact Mass467.18
IUPAC Name2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N-methylacetamide
SMILESCNC(=O)C(O)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C27H22FN5O2/c1-29-25(35)24(34)20-6-4-16(12-21(20)28)18-13-31-26-32-14-23(33(26)15-18)27(8-9-27)19-5-7-22-17(11-19)3-2-10-30-22/h2-7,10-15,24,34H,8-9H2,1H3,(H,29,35)
InChIKeyBDULPCHPVMRDTB-UHFFFAOYSA-N
XLogP3.94
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
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-methylacetamide?
The IUPAC name of 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N-methylacetamide (CID 59420906) is 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N-methylacetamide.
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-methylacetamide?
The canonical SMILES for 2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N-methylacetamide is CNC(=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-methylacetamide?
The InChIKey is BDULPCHPVMRDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O2/c1-29-25(35)24(34)20-6-4-16(12-21(20)28)18-13-31-26-32-14-23(33(26)15-18)27(8-9-27)19-5-7-22-17(11-19)3-2-10-30-22/h2-7,10-15,24,34H,8-9H2,1H3,(H,29,35).
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-methylacetamide?
2-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-2-hydroxy-N-methylacetamide has a molecular weight of 467.50 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 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-methylacetamide is sourced from PubChem (CID 59420906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).