5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide

C31H23FN6O — CID 25145381

IUPAC5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2F)cn1
InChIInChI=1S/C31H23FN6O/c1-33-29(39)27-8-5-21(15-35-27)24-7-4-19(14-25(24)32)22-16-36-30-37-17-28(38(30)18-22)31(10-11-31)23-6-9-26-20(13-23)3-2-12-34-26/h2-9,12-18H,10-11H2,1H3,(H,33,39)
InChIKeyXHTMWOOSYIUPHG-UHFFFAOYSA-N
MW514.56 g/mol
LogP5.59
Rot. Bonds5

About 5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide

5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide (PubChem CID 25145381) has the molecular formula C31H23FN6O and a molecular weight of 514.56 g/mol. Its IUPAC name is 5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide
PubChem CID25145381
Molecular FormulaC31H23FN6O
Molecular Weight514.56 g/mol
Exact Mass514.19
IUPAC Name5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2F)cn1
InChIInChI=1S/C31H23FN6O/c1-33-29(39)27-8-5-21(15-35-27)24-7-4-19(14-25(24)32)22-16-36-30-37-17-28(38(30)18-22)31(10-11-31)23-6-9-26-20(13-23)3-2-12-34-26/h2-9,12-18H,10-11H2,1H3,(H,33,39)
InChIKeyXHTMWOOSYIUPHG-UHFFFAOYSA-N
XLogP5.59
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.56
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide (CID 25145381) is 5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is XHTMWOOSYIUPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23FN6O/c1-33-29(39)27-8-5-21(15-35-27)24-7-4-19(14-25(24)32)22-16-36-30-37-17-28(38(30)18-22)31(10-11-31)23-6-9-26-20(13-23)3-2-12-34-26/h2-9,12-18H,10-11H2,1H3,(H,33,39).
What are the key properties of 5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide?
5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 514.56 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]phenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 25145381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).