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

C28H22FN5O — CID 59420988

IUPACN-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C28H22FN5O/c29-23-13-17(3-7-22(23)26(35)33-21-5-6-21)19-14-31-27-32-15-25(34(27)16-19)28(9-10-28)20-4-8-24-18(12-20)2-1-11-30-24/h1-4,7-8,11-16,21H,5-6,9-10H2,(H,33,35)
InChIKeyUALQOLRSTJVHEZ-UHFFFAOYSA-N
MW463.52 g/mol
LogP5.06
Rot. Bonds5

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

N-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 59420988) has the molecular formula C28H22FN5O and a molecular weight of 463.52 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID59420988
Molecular FormulaC28H22FN5O
Molecular Weight463.52 g/mol
Exact Mass463.18
IUPAC NameN-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C28H22FN5O/c29-23-13-17(3-7-22(23)26(35)33-21-5-6-21)19-14-31-27-32-15-25(34(27)16-19)28(9-10-28)20-4-8-24-18(12-20)2-1-11-30-24/h1-4,7-8,11-16,21H,5-6,9-10H2,(H,33,35)
InChIKeyUALQOLRSTJVHEZ-UHFFFAOYSA-N
XLogP5.06
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 59420988) is N-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F.
What is the InChIKey of N-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is UALQOLRSTJVHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5O/c29-23-13-17(3-7-22(23)26(35)33-21-5-6-21)19-14-31-27-32-15-25(34(27)16-19)28(9-10-28)20-4-8-24-18(12-20)2-1-11-30-24/h1-4,7-8,11-16,21H,5-6,9-10H2,(H,33,35).
What are the key properties of N-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
N-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 463.52 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 59420988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).