2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one

C30H27N5O2 — CID 59421008

IUPAC2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one
SMILESCOCC(C)N1Cc2cc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)ccc2C1=O
InChIInChI=1S/C30H27N5O2/c1-19(18-37-2)34-16-22-12-20(5-7-25(22)28(34)36)23-14-32-29-33-15-27(35(29)17-23)30(9-10-30)24-6-8-26-21(13-24)4-3-11-31-26/h3-8,11-15,17,19H,9-10,16,18H2,1-2H3
InChIKeyFONGHUPEQBLREE-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.02
Rot. Bonds6

About 2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one

2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one (PubChem CID 59421008) has the molecular formula C30H27N5O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one
PubChem CID59421008
Molecular FormulaC30H27N5O2
Molecular Weight489.58 g/mol
Exact Mass489.22
IUPAC Name2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one
SMILESCOCC(C)N1Cc2cc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)ccc2C1=O
InChIInChI=1S/C30H27N5O2/c1-19(18-37-2)34-16-22-12-20(5-7-25(22)28(34)36)23-14-32-29-33-15-27(35(29)17-23)30(9-10-30)24-6-8-26-21(13-24)4-3-11-31-26/h3-8,11-15,17,19H,9-10,16,18H2,1-2H3
InChIKeyFONGHUPEQBLREE-UHFFFAOYSA-N
XLogP5.02
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one?
The IUPAC name of 2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one (CID 59421008) is 2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one is COCC(C)N1Cc2cc(-c3cnc4ncc(C5(c6ccc7ncccc7c6)CC5)n4c3)ccc2C1=O.
What is the InChIKey of 2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one?
The InChIKey is FONGHUPEQBLREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2/c1-19(18-37-2)34-16-22-12-20(5-7-25(22)28(34)36)23-14-32-29-33-15-27(35(29)17-23)30(9-10-30)24-6-8-26-21(13-24)4-3-11-31-26/h3-8,11-15,17,19H,9-10,16,18H2,1-2H3.
What are the key properties of 2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one?
2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one has a molecular weight of 489.58 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yl)-5-[3-(1-quinolin-6-ylcyclopropyl)imidazo[1,2-a]pyrimidin-6-yl]-3H-isoindol-1-one is sourced from PubChem (CID 59421008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).