N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

C28H21F2N5O — CID 25145234

IUPACN-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NC1CC1)c1cc(F)c(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C28H21F2N5O/c29-22-12-21(26(36)34-19-4-5-19)23(30)11-20(22)17-13-32-27-33-14-25(35(27)15-17)28(7-8-28)18-3-6-24-16(10-18)2-1-9-31-24/h1-3,6,9-15,19H,4-5,7-8H2,(H,34,36)
InChIKeyGBWKVPGAUPOMDE-UHFFFAOYSA-N
MW481.51 g/mol
LogP5.19
Rot. Bonds5

About N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide

N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (PubChem CID 25145234) has the molecular formula C28H21F2N5O and a molecular weight of 481.51 g/mol. Its IUPAC name is N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
PubChem CID25145234
Molecular FormulaC28H21F2N5O
Molecular Weight481.51 g/mol
Exact Mass481.17
IUPAC NameN-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide
SMILESO=C(NC1CC1)c1cc(F)c(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F
InChIInChI=1S/C28H21F2N5O/c29-22-12-21(26(36)34-19-4-5-19)23(30)11-20(22)17-13-32-27-33-14-25(35(27)15-17)28(7-8-28)18-3-6-24-16(10-18)2-1-9-31-24/h1-3,6,9-15,19H,4-5,7-8H2,(H,34,36)
InChIKeyGBWKVPGAUPOMDE-UHFFFAOYSA-N
XLogP5.19
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.51
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The IUPAC name of N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide (CID 25145234) is N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The canonical SMILES for N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is O=C(NC1CC1)c1cc(F)c(-c2cnc3ncc(C4(c5ccc6ncccc6c5)CC4)n3c2)cc1F.
What is the InChIKey of N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
The InChIKey is GBWKVPGAUPOMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F2N5O/c29-22-12-21(26(36)34-19-4-5-19)23(30)11-20(22)17-13-32-27-33-14-25(35(27)15-17)28(7-8-28)18-3-6-24-16(10-18)2-1-9-31-24/h1-3,6,9-15,19H,4-5,7-8H2,(H,34,36).
What are the key properties of N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide?
N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide has a molecular weight of 481.51 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-difluoro-4-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]benzamide is sourced from PubChem (CID 25145234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).